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

Systemtic Name: ethyl 1-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-keto-ethyl]isonipecotic acid ethyl ester Formula: C22H31ClN2O3 MolecularWeight: 406.94614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C2=CC=C(C=C2)Cl)C(=O)NC3CCCCC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C2=CC=C(C=C2)Cl)C(=O)NC3CCCCC3

InChI

InChI=1S/C22H31ClN2O3/c1-2-28-22(27)17-12-14-25(15-13-17)20(16-8-10-18(23)11-9-16)21(26)24-19-6-4-3-5-7-19/h8-11,17,19-20H,2-7,12-15H2,1H3,(H,24,26)