2-[3-(1-oxidanylidene-2H-isoquinolin-6-yl)propanoylamino]benzoic acid

Systemtic Name: 2-[3-(1-oxidanylidene-2H-isoquinolin-6-yl)propanoylamino]benzoic acid Openeye Name: 2-[3-(1-oxo-2H-isoquinolin-6-yl)propanoylamino]benzoic acid CAS Name: 2-[[1-oxo-3-(1-oxo-2H-isoquinolin-6-yl)propyl]amino]benzoic acid IUPAC Name: 2-[3-(1-oxo-2H-isoquinolin-6-yl)propanoylamino]benzoic acid Traditional Name: 2-[3-(1-keto-2H-isoquinolin-6-yl)propanoylamino]benzoic acid Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC3=C(C=C2)C(=O)NC=C3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC3=C(C=C2)C(=O)NC=C3

InChI

InChI=1S/C19H16N2O4/c22-17(21-16-4-2-1-3-15(16)19(24)25)8-6-12-5-7-14-13(11-12)9-10-20-18(14)23/h1-5,7,9-11H,6,8H2,(H,20,23)(H,21,22)(H,24,25)