methyl 2-methoxy-5-[[3-(4-oxidanylidenecinnolin-1-yl)propanoylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[3-(4-oxidanylidenecinnolin-1-yl)propanoylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[3-(4-oxocinnolin-1-yl)propanoylamino]methyl]benzoate CAS Name: 2-methoxy-5-[[[1-oxo-3-(4-oxo-1-cinnolinyl)propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[3-(4-oxocinnolin-1-yl)propanoylamino]methyl]benzoate Traditional Name: 5-[[3-(4-ketocinnolin-1-yl)propanoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCN2C3=CC=CC=C3C(=O)C=N2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCN2C3=CC=CC=C3C(=O)C=N2)C(=O)OC

InChI

InChI=1S/C21H21N3O5/c1-28-19-8-7-14(11-16(19)21(27)29-2)12-22-20(26)9-10-24-17-6-4-3-5-15(17)18(25)13-23-24/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,26)