ethyl (6S)-3-(2-cyclohexylethyl)-6-(4-ethoxyphenyl)-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: ethyl (6S)-3-(2-cyclohexylethyl)-6-(4-ethoxyphenyl)-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: ethyl (6S)-3-(2-cyclohexylethyl)-6-(4-ethoxyphenyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6S)-3-(2-cyclohexylethyl)-6-(4-ethoxyphenyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-(2-cyclohexylethyl)-6-(4-ethoxyphenyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6S)-3-(2-cyclohexylethyl)-4-keto-6-p-phenetyl-1,5,6,7-tetrahydroindole-2-carboxylic acid ethyl ester Formula: C27H35NO4 MolecularWeight: 437.5711

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CC3=C(C(=O)C2)C(=C(N3)C(=O)OCC)CCC4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CC3=C(C(=O)C2)C(=C(N3)C(=O)OCC)CCC4CCCCC4

InChI

InChI=1S/C27H35NO4/c1-3-31-21-13-11-19(12-14-21)20-16-23-25(24(29)17-20)22(26(28-23)27(30)32-4-2)15-10-18-8-6-5-7-9-18/h11-14,18,20,28H,3-10,15-17H2,1-2H3/t20-/m0/s1