(4R,6S)-6-[(1E)-2-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid tert-butyl ester

C₃₂H₃₆FNO₄CAS 147489-06-3517.64 g/mol

Open in Covalent MOL file

Acetal Alkene Aryl halide Ester Ether

Properties

Molecular formula: C₃₂H₃₆FNO₄
Molar mass: 517.64 g/mol
Exact mass: 517.2628 Da
logP: 7.57Crippen estimate
Polar surface area: 57.7 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 6
Stereocentres: R, Sin SMILES atom order
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

147489-06-3

SMILES

CC1(O[C@H](C[C@H](O1)/C=C/C2=C(C3=CC=CC=C3N=C2C4CC4)C5=CC=C(C=C5)F)CC(=O)OC(C)(C)C)C

InChIKey

GTJPCLUSFUIHTP-KAAYJFPCSA-N

InChI

InChI=1S/C32H36FNO4/c1-31(2,3)38-28(35)19-24-18-23(36-32(4,5)37-24)16-17-26-29(20-12-14-22(33)15-13-20)25-8-6-7-9-27(25)34-30(26)21-10-11-21/h6-9,12-17,21,23-24H,10-11,18-19H2,1-5H3/b17-16+/t23-,24-/m1/s1

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Names and synonyms

1 names

t-Butyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate

Work with (4R,6S)-6-[(1E)-2-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid tert-butyl ester

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Similar compounds

Pitavastatin lactone141750-63-261 % similar Pitavastatin ethyl ester167073-19-055 % similar Ethyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoate172336-32-255 % similar 1,1-Dimethylethyl (4R,6S)-6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate289042-12-255 % similar Ethyl (6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoate148901-69-354 % similar Pitavastatin147511-69-152 % similar 2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinecarboxaldehyde121660-37-551 % similar (2E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenal148901-68-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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