ethyl 3-[(3-chlorophenyl)methyl]-1-[2-(1H-imidazol-2-yl)phenyl]carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(3-chlorophenyl)methyl]-1-[2-(1H-imidazol-2-yl)phenyl]carbonyl-piperidine-3-carboxylate Openeye Name: ethyl 3-[(3-chlorophenyl)methyl]-1-[2-(1H-imidazol-2-yl)benzoyl]piperidine-3-carboxylate CAS Name: 3-[(3-chlorophenyl)methyl]-1-[[2-(1H-imidazol-2-yl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-chlorophenyl)methyl]-1-[2-(1H-imidazol-2-yl)benzoyl]piperidine-3-carboxylate Traditional Name: 3-(3-chlorobenzyl)-1-[2-(1H-imidazol-2-yl)benzoyl]nipecotic acid ethyl ester Formula: C25H26ClN3O3 MolecularWeight: 451.94524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=CC=C2C3=NC=CN3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=CC=C2C3=NC=CN3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H26ClN3O3/c1-2-32-24(31)25(16-18-7-5-8-19(26)15-18)11-6-14-29(17-25)23(30)21-10-4-3-9-20(21)22-27-12-13-28-22/h3-5,7-10,12-13,15H,2,6,11,14,16-17H2,1H3,(H,27,28)