ethyl 3-[(3-chlorophenyl)methyl]-1-[4-(dimethylamino)-4-oxidanylidene-butanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(3-chlorophenyl)methyl]-1-[4-(dimethylamino)-4-oxidanylidene-butanoyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(3-chlorophenyl)methyl]-1-[4-(dimethylamino)-4-oxo-butanoyl]piperidine-3-carboxylate CAS Name: 3-[(3-chlorophenyl)methyl]-1-[4-(dimethylamino)-1,4-dioxobutyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-chlorophenyl)methyl]-1-[4-(dimethylamino)-4-oxobutanoyl]piperidine-3-carboxylate Traditional Name: 3-(3-chlorobenzyl)-1-[4-(dimethylamino)-4-keto-butanoyl]nipecotic acid ethyl ester Formula: C21H29ClN2O4 MolecularWeight: 408.91896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCC(=O)N(C)C)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)CCC(=O)N(C)C)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C21H29ClN2O4/c1-4-28-20(27)21(14-16-7-5-8-17(22)13-16)11-6-12-24(15-21)19(26)10-9-18(25)23(2)3/h5,7-8,13H,4,6,9-12,14-15H2,1-3H3