(3,3,5-trimethylcyclohexyl) 1-[(4-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxylate

Systemtic Name: (3,3,5-trimethylcyclohexyl) 1-[(4-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxylate Openeye Name: (3,3,5-trimethylcyclohexyl) 1-[(4-chlorophenyl)methyl]-5-oxo-pyrrolidine-2-carboxylate CAS Name: 1-[(4-chlorophenyl)methyl]-5-oxo-2-pyrrolidinecarboxylic acid (3,3,5-trimethylcyclohexyl) ester IUPAC Name: (3,3,5-trimethylcyclohexyl) 1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylate Traditional Name: 1-(4-chlorobenzyl)-5-keto-pyrrolidine-2-carboxylic acid (3,3,5-trimethylcyclohexyl) ester Formula: C21H28ClNO3 MolecularWeight: 377.90492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)OC(=O)C2CCC(=O)N2CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1CC(CC(C1)(C)C)OC(=O)C2CCC(=O)N2CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H28ClNO3/c1-14-10-17(12-21(2,3)11-14)26-20(25)18-8-9-19(24)23(18)13-15-4-6-16(22)7-5-15/h4-7,14,17-18H,8-13H2,1-3H3