ethyl 4-[(4-chlorophenyl)methyl]-1-(1-methylazepan-2-yl)carbonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(1-methylazepan-2-yl)carbonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(1-methylazepane-2-carbonyl)piperidine-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-[(1-methyl-2-azepanyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-(1-methylazepane-2-carbonyl)piperidine-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-(1-methylazepane-2-carbonyl)isonipecotic acid ethyl ester Formula: C23H33ClN2O3 MolecularWeight: 420.97272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2CCCCCN2C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2CCCCCN2C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H33ClN2O3/c1-3-29-22(28)23(17-18-8-10-19(24)11-9-18)12-15-26(16-13-23)21(27)20-7-5-4-6-14-25(20)2/h8-11,20H,3-7,12-17H2,1-2H3