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

Systemtic Name: cyclooctyl (6S)-6-(4-ethoxyphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: cyclooctyl (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 cyclooctyl ester IUPAC Name: cyclooctyl (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 cyclooctyl ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CC3=C(C(=C(N3)C(=O)OC4CCCCCCC4)C)C(=O)C2

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CC3=C(C(=C(N3)C(=O)OC4CCCCCCC4)C)C(=O)C2

InChI

InChI=1S/C26H33NO4/c1-3-30-20-13-11-18(12-14-20)19-15-22-24(23(28)16-19)17(2)25(27-22)26(29)31-21-9-7-5-4-6-8-10-21/h11-14,19,21,27H,3-10,15-16H2,1-2H3/t19-/m0/s1