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

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

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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)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CC3=C(C(=O)C2)C(=C(N3)C(=O)OCC)CC4=CC=CC=C4

InChI

InChI=1S/C26H27NO4/c1-3-30-20-12-10-18(11-13-20)19-15-22-24(23(28)16-19)21(14-17-8-6-5-7-9-17)25(27-22)26(29)31-4-2/h5-13,19,27H,3-4,14-16H2,1-2H3/t19-/m0/s1