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

Systemtic Name: phenethyl (6R)-6-(4-chlorophenyl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: phenethyl (6R)-6-(4-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6R)-6-(4-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid phenethyl ester IUPAC Name: phenethyl (6R)-6-(4-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6R)-6-(4-chlorophenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid phenethyl ester Formula: C24H22ClNO3 MolecularWeight: 407.88938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CC(C2)C3=CC=C(C=C3)Cl)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(NC2=C1C(=O)C[C@@H](C2)C3=CC=C(C=C3)Cl)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C24H22ClNO3/c1-15-22-20(13-18(14-21(22)27)17-7-9-19(25)10-8-17)26-23(15)24(28)29-12-11-16-5-3-2-4-6-16/h2-10,18,26H,11-14H2,1H3/t18-/m1/s1