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

Systemtic Name: cyclohexylmethyl (6S)-6-(4-ethylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: cyclohexylmethyl (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 cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl (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 cyclohexylmethyl 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)OCC4CCCCC4)C)C(=O)C2

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2CC3=C(C(=C(N3)C(=O)OCC4CCCCC4)C)C(=O)C2

InChI

InChI=1S/C25H31NO3/c1-3-17-9-11-19(12-10-17)20-13-21-23(22(27)14-20)16(2)24(26-21)25(28)29-15-18-7-5-4-6-8-18/h9-12,18,20,26H,3-8,13-15H2,1-2H3/t20-/m0/s1