Methyl (3E)-2,3-dihydro-3-(methoxyphenylmethylene)-2-oxo-1H-indole-6-carboxylate

C₁₈H₁₅NO₄CAS 1168150-46-6309.32 g/mol

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Alkene Ester Ether

Properties

Molecular formula: C₁₈H₁₅NO₄
Molar mass: 309.32 g/mol
Exact mass: 309.1001 Da
logP: 3.59Crippen estimate
Polar surface area: 68.1 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

1168150-46-6

SMILES

COC(=O)c1ccc2c(c1)N=C(O)/C2=C(/OC)c1ccccc1

InChIKey

WUVZENIISJMEHI-FOCLMDBBSA-N

InChI

InChI=1S/C18H15NO4/c1-22-16(11-6-4-3-5-7-11)15-13-9-8-12(18(21)23-2)10-14(13)19-17(15)20/h3-10H,1-2H3,(H,19,20)/b16-15+

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Names and synonyms

1 names

1H-Indole-6-carboxylic acid, 2,3-dihydro-3-(methoxyphenylmethylene)-2-oxo-, methyl ester, (3E)-

Work with Methyl (3E)-2,3-dihydro-3-(methoxyphenylmethylene)-2-oxo-1H-indole-6-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Nintedanib656247-17-550 % similar Nintedanib928326-83-450 % similar 2-Oxo-2,3-dihydro-1H-indole-6-carboxylic acid methyl ester14192-26-848 % similar Methyl benzoate93-58-347 % similar Trimethyl trimellitate2459-10-146 % similar Dimethyl isophthalate1459-93-445 % similar Methyl 3,4-dimethylbenzoate38404-42-145 % similar Methyl 2-naphthoate2459-25-844 % similar

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

Same formula

Methyl 4-hydroxy-1-methyl-7-phenoxy-3-isoquinolinecarboxylate1421312-34-6

Elsewhere

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