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

Systemtic Name: cycloheptyl (6R)-6-(4-dimethylaminophenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: cycloheptyl (6R)-6-(4-dimethylaminophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6R)-6-(4-dimethylaminophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl (6R)-6-(4-dimethylaminophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6R)-6-(4-dimethylaminophenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid cycloheptyl ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O3/c1-16-23-21(26-24(16)25(29)30-20-8-6-4-5-7-9-20)14-18(15-22(23)28)17-10-12-19(13-11-17)27(2)3/h10-13,18,20,26H,4-9,14-15H2,1-3H3/t18-/m1/s1