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

Systemtic Name: cyclooctyl (6S)-6-(4-ethylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: cyclooctyl (6S)-6-(4-ethylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6S)-6-(4-ethylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid cyclooctyl ester IUPAC Name: cyclooctyl (6S)-6-(4-ethylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6S)-6-(4-ethylphenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid cyclooctyl ester Formula: C26H33NO3 MolecularWeight: 407.54512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2CC3=C(C(=C(N3)C(=O)OC4CCCCCCC4)C)C(=O)C2

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2CC3=C(C(=C(N3)C(=O)OC4CCCCCCC4)C)C(=O)C2

InChI

InChI=1S/C26H33NO3/c1-3-18-11-13-19(14-12-18)20-15-22-24(23(28)16-20)17(2)25(27-22)26(29)30-21-9-7-5-4-6-8-10-21/h11-14,20-21,27H,3-10,15-16H2,1-2H3/t20-/m0/s1