ethyl 1-[(4R)-1-[(2-chlorophenyl)methyl]-7-oxidanylidene-azepan-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4R)-1-[(2-chlorophenyl)methyl]-7-oxidanylidene-azepan-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4R)-1-[(2-chlorophenyl)methyl]-7-oxo-azepan-4-yl]piperidine-4-carboxylate CAS Name: 1-[(4R)-1-[(2-chlorophenyl)methyl]-7-oxo-4-azepanyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4R)-1-[(2-chlorophenyl)methyl]-7-oxoazepan-4-yl]piperidine-4-carboxylate Traditional Name: 1-[(4R)-1-(2-chlorobenzyl)-7-keto-azepan-4-yl]isonipecotic acid ethyl ester Formula: C21H29ClN2O3 MolecularWeight: 392.91956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2CCC(=O)N(CC2)CC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)[C@@H]2CCC(=O)N(CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H29ClN2O3/c1-2-27-21(26)16-9-12-23(13-10-16)18-7-8-20(25)24(14-11-18)15-17-5-3-4-6-19(17)22/h3-6,16,18H,2,7-15H2,1H3/t18-/m1/s1