ethyl 1-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxidanylidene-ethyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-keto-ethyl]isonipecotic acid ethyl ester Formula: C21H29ClN2O3 MolecularWeight: 392.91956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C2=CC=C(C=C2)Cl)C(=O)NC3CCCC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C2=CC=C(C=C2)Cl)C(=O)NC3CCCC3

InChI

InChI=1S/C21H29ClN2O3/c1-2-27-21(26)16-11-13-24(14-12-16)19(15-7-9-17(22)10-8-15)20(25)23-18-5-3-4-6-18/h7-10,16,18-19H,2-6,11-14H2,1H3,(H,23,25)