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

Systemtic Name: (4-methylcyclohexyl) (6S)-6-(4-ethoxyphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: (4-methylcyclohexyl) (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 (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) (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 (4-methylcyclohexyl) ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CC3=C(C(=C(N3)C(=O)OC4CCC(CC4)C)C)C(=O)C2

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CC3=C(C(=C(N3)C(=O)OC4CCC(CC4)C)C)C(=O)C2

InChI

InChI=1S/C25H31NO4/c1-4-29-19-11-7-17(8-12-19)18-13-21-23(22(27)14-18)16(3)24(26-21)25(28)30-20-9-5-15(2)6-10-20/h7-8,11-12,15,18,20,26H,4-6,9-10,13-14H2,1-3H3/t15?,18-,20?/m0/s1