Methyl 1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-B]indole-1-acetate

C₁₈H₂₃NO₃CAS 122188-02-7301.39 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₂₃NO₃
Molar mass: 301.39 g/mol
Exact mass: 301.1678 Da
logP: 3.47Crippen estimate
Polar surface area: 51.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Identifiers

CAS number

122188-02-7

SMILES

CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)OC)OCC3

InChIKey

CRRWJZHQYUTACF-UHFFFAOYSA-N

InChI

InChI=1S/C18H23NO3/c1-4-12-7-6-8-13-14-9-10-22-18(5-2,11-15(20)21-3)17(14)19-16(12)13/h6-8,19H,4-5,9-11H2,1-3H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro-, methyl ester
1,8-Diethyl-1,3,4,9-tetrahydro-Pyrano[3,4-b]indole-1-acetic acid methyl ester

Work with Methyl 1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-B]indole-1-acetate

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

Etodolac41340-25-474 % similar Methyl 1-naphthylacetate2876-78-036 % similar β-Indolylacetic acid methyl ester1912-33-032 % similar Methyl 2-chlorobenzeneacetate57486-68-732 % similar 7-Ethyl-1H-indole-3-ethanol41340-36-730 % similar

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

Same formula

Ractopamine97825-25-7

Elsewhere

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