[1-(4-cyanophenyl)-2-oxidanylidene-pyrrolidin-3-yl] 4-(aminocarbonylamino)-2-ethyl-butanoate

Systemtic Name: [1-(4-cyanophenyl)-2-oxidanylidene-pyrrolidin-3-yl] 4-(aminocarbonylamino)-2-ethyl-butanoate Openeye Name: [1-(4-cyanophenyl)-2-oxo-pyrrolidin-3-yl] 2-ethyl-4-ureido-butanoate CAS Name: 4-(carbamoylamino)-2-ethylbutanoic acid [1-(4-cyanophenyl)-2-oxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl] 4-(carbamoylamino)-2-ethylbutanoate Traditional Name: 2-ethyl-4-ureido-butyric acid [1-(4-cyanophenyl)-2-keto-pyrrolidin-3-yl] ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCNC(=O)N)C(=O)OC1CCN(C1=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCC(CCNC(=O)N)C(=O)OC1CCN(C1=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H22N4O4/c1-2-13(7-9-21-18(20)25)17(24)26-15-8-10-22(16(15)23)14-5-3-12(11-19)4-6-14/h3-6,13,15H,2,7-10H2,1H3,(H3,20,21,25)