2-[6-[(4-carbamimidoylphenyl)carbonylamino]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[6-[(4-carbamimidoylphenyl)carbonylamino]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoic acid Openeye Name: 2-[6-[(4-carbamimidoylbenzoyl)amino]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid CAS Name: 2-[6-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid IUPAC Name: 2-[6-[(4-carbamimidoylbenzoyl)amino]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid Traditional Name: 2-[6-[(4-amidinobenzoyl)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=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

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

InChI

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