[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)carbonylamino]propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-[(4-chlorobenzoyl)amino]propanoate CAS Name: 3-[[(4-chlorophenyl)-oxomethyl]amino]propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate Traditional Name: 3-[(4-chlorobenzoyl)amino]propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C19H22ClN3O4 MolecularWeight: 391.84868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H22ClN3O4/c20-15-6-4-14(5-7-15)18(26)22-11-8-17(25)27-12-16(24)23-19(13-21)9-2-1-3-10-19/h4-7H,1-3,8-12H2,(H,22,26)(H,23,24)