ethyl 4-[(2-chlorophenyl)methyl]-1-[3-(2-methylimidazol-1-yl)propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(2-chlorophenyl)methyl]-1-[3-(2-methylimidazol-1-yl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 4-[(2-chlorophenyl)methyl]-1-[3-(2-methylimidazol-1-yl)propanoyl]piperidine-4-carboxylate CAS Name: 4-[(2-chlorophenyl)methyl]-1-[3-(2-methyl-1-imidazolyl)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chlorophenyl)methyl]-1-[3-(2-methylimidazol-1-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 4-(2-chlorobenzyl)-1-[3-(2-methylimidazol-1-yl)propanoyl]isonipecotic acid ethyl ester Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CCN2C=CN=C2C)CC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CCN2C=CN=C2C)CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H28ClN3O3/c1-3-29-21(28)22(16-18-6-4-5-7-19(18)23)9-13-26(14-10-22)20(27)8-12-25-15-11-24-17(25)2/h4-7,11,15H,3,8-10,12-14,16H2,1-2H3