methyl 3-(4-chlorophenyl)-3-[3-(4-oxidanylidenecinnolin-1-yl)propanoylamino]propanoate

Systemtic Name: methyl 3-(4-chlorophenyl)-3-[3-(4-oxidanylidenecinnolin-1-yl)propanoylamino]propanoate Openeye Name: methyl 3-(4-chlorophenyl)-3-[3-(4-oxocinnolin-1-yl)propanoylamino]propanoate CAS Name: 3-(4-chlorophenyl)-3-[[1-oxo-3-(4-oxo-1-cinnolinyl)propyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-chlorophenyl)-3-[3-(4-oxocinnolin-1-yl)propanoylamino]propanoate Traditional Name: 3-(4-chlorophenyl)-3-[3-(4-ketocinnolin-1-yl)propanoylamino]propionic acid methyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)Cl)NC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

COC(=O)CC(C1=CC=C(C=C1)Cl)NC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C21H20ClN3O4/c1-29-21(28)12-17(14-6-8-15(22)9-7-14)24-20(27)10-11-25-18-5-3-2-4-16(18)19(26)13-23-25/h2-9,13,17H,10-12H2,1H3,(H,24,27)