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

Systemtic Name: (4-methylcyclohexyl) (6S)-6-(4-ethylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: (4-methylcyclohexyl) (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 (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) (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 (4-methylcyclohexyl) ester Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2CC3=C(C(=C(N3)C(=O)OC4CCC(CC4)C)C)C(=O)C2

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2CC3=C(C(=C(N3)C(=O)OC4CCC(CC4)C)C)C(=O)C2

InChI

InChI=1S/C25H31NO3/c1-4-17-7-9-18(10-8-17)19-13-21-23(22(27)14-19)16(3)24(26-21)25(28)29-20-11-5-15(2)6-12-20/h7-10,15,19-20,26H,4-6,11-14H2,1-3H3/t15?,19-,20?/m0/s1