cycloheptyl (6R)-6-(4-tert-butylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: cycloheptyl (6R)-6-(4-tert-butylphenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: cycloheptyl (6R)-6-(4-tert-butylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6R)-6-(4-tert-butylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl (6R)-6-(4-tert-butylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6R)-6-(4-tert-butylphenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid cycloheptyl ester Formula: C27H35NO3 MolecularWeight: 421.5717

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CC(C2)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC4CCCCCC4

Isomeric SMILES

CC1=C(NC2=C1C(=O)C[C@@H](C2)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC4CCCCCC4

InChI

InChI=1S/C27H35NO3/c1-17-24-22(28-25(17)26(30)31-21-9-7-5-6-8-10-21)15-19(16-23(24)29)18-11-13-20(14-12-18)27(2,3)4/h11-14,19,21,28H,5-10,15-16H2,1-4H3/t19-/m1/s1