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

Systemtic Name: phenethyl (6S)-6-(4-ethoxyphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: phenethyl (6S)-6-(4-ethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6S)-6-(4-ethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid phenethyl ester IUPAC Name: phenethyl (6S)-6-(4-ethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6S)-4-keto-3-methyl-6-p-phenetyl-1,5,6,7-tetrahydroindole-2-carboxylic acid phenethyl ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CC3=C(C(=C(N3)C(=O)OCCC4=CC=CC=C4)C)C(=O)C2

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CC3=C(C(=C(N3)C(=O)OCCC4=CC=CC=C4)C)C(=O)C2

InChI

InChI=1S/C26H27NO4/c1-3-30-21-11-9-19(10-12-21)20-15-22-24(23(28)16-20)17(2)25(27-22)26(29)31-14-13-18-7-5-4-6-8-18/h4-12,20,27H,3,13-16H2,1-2H3/t20-/m0/s1