2-[7-[carbamimidoyl(phenylcarbonyl)amino]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[7-[carbamimidoyl(phenylcarbonyl)amino]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoic acid Openeye Name: 2-[7-[benzoyl(carbamimidoyl)amino]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid CAS Name: 2-[7-[benzoyl(carbamimidoyl)amino]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid IUPAC Name: 2-[7-[benzoyl(carbamimidoyl)amino]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid Traditional Name: 2-[7-[amidino(benzoyl)amino]-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=CC(=C2)N(C(=O)C3=CC=CC=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C1CN(C(=O)C2=C1C=CC(=C2)N(C(=O)C3=CC=CC=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C19H18N4O4/c20-19(21)23(17(26)13-4-2-1-3-5-13)14-7-6-12-8-9-22(11-16(24)25)18(27)15(12)10-14/h1-7,10H,8-9,11H2,(H3,20,21)(H,24,25)