(phenylmethyl) 3-[[1-(4-cyanophenyl)-2-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[[1-(4-cyanophenyl)-2-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]propanoate Openeye Name: benzyl 3-[[1-(4-cyanophenyl)-2-oxo-pyrrolidin-3-yl]carbamoylamino]propanoate CAS Name: 3-[[[[1-(4-cyanophenyl)-2-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate Traditional Name: 3-[[1-(4-cyanophenyl)-2-keto-pyrrolidin-3-yl]carbamoylamino]propionic acid benzyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NC(=O)NCCC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(C(=O)C1NC(=O)NCCC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H22N4O4/c23-14-16-6-8-18(9-7-16)26-13-11-19(21(26)28)25-22(29)24-12-10-20(27)30-15-17-4-2-1-3-5-17/h1-9,19H,10-13,15H2,(H2,24,25,29)