[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 1-(3-chlorophenyl)cyclohexanecarboxylate CAS Name: 1-(3-chlorophenyl)-1-cyclohexanecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 1-(3-chlorophenyl)cyclohexane-1-carboxylate Traditional Name: 1-(3-chlorophenyl)cyclohexanecarboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H21ClN2O3 MolecularWeight: 348.82394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC(=CC=C2)Cl)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1CCC(CC1)(C2=CC(=CC=C2)Cl)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C18H21ClN2O3/c19-15-7-4-6-14(12-15)18(8-2-1-3-9-18)17(23)24-13-16(22)21-11-5-10-20/h4,6-7,12H,1-3,5,8-9,11,13H2,(H,21,22)