ethyl 3-[[1-(4-ethanimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]propanoate

Systemtic Name: ethyl 3-[[1-(4-ethanimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]carbamoylamino]propanoate Openeye Name: ethyl 3-[[1-(4-ethanimidoylphenyl)-2-oxo-pyrrolidin-3-yl]carbamoylamino]propanoate CAS Name: 3-[[[[1-[4-(1-iminoethyl)phenyl]-2-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(4-ethanimidoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate Traditional Name: 3-[[1-(4-acetimidoylphenyl)-2-keto-pyrrolidin-3-yl]carbamoylamino]propionic acid ethyl ester Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)NC1CCN(C1=O)C2=CC=C(C=C2)C(=N)C

Isomeric SMILES

CCOC(=O)CCNC(=O)NC1CCN(C1=O)C2=CC=C(C=C2)C(=N)C

InChI

InChI=1S/C18H24N4O4/c1-3-26-16(23)8-10-20-18(25)21-15-9-11-22(17(15)24)14-6-4-13(5-7-14)12(2)19/h4-7,15,19H,3,8-11H2,1-2H3,(H2,20,21,25)