(4-pyrrolidin-1-ylcarbonylphenyl)methyl 1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-piperidinecarboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-chlorobenzoyl)nipecotic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C25H27ClN2O4 MolecularWeight: 454.94588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H27ClN2O4/c26-22-11-9-20(10-12-22)24(30)28-15-3-4-21(16-28)25(31)32-17-18-5-7-19(8-6-18)23(29)27-13-1-2-14-27/h5-12,21H,1-4,13-17H2