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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NC1(CCCC1)C#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)NC1(CCCC1)C#N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H22ClN3O4/c1-13(24)22-16(14-4-6-15(20)7-5-14)10-18(26)27-11-17(25)23-19(12-21)8-2-3-9-19/h4-7,16H,2-3,8-11H2,1H3,(H,22,24)(H,23,25)