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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-[(4-chlorobenzoyl)amino]propanoate CAS Name: 3-[[(4-chlorophenyl)-oxomethyl]amino]propanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate Traditional Name: 3-[(4-chlorobenzoyl)amino]propionic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H20ClN3O4/c19-14-5-3-13(4-6-14)17(25)21-10-7-16(24)26-11-15(23)22-18(12-20)8-1-2-9-18/h3-6H,1-2,7-11H2,(H,21,25)(H,22,23)