2-[5-[(4-carbamimidoylphenyl)carbonylamino]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[5-[(4-carbamimidoylphenyl)carbonylamino]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoic acid Openeye Name: 2-[5-[(4-carbamimidoylbenzoyl)amino]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid CAS Name: 2-[5-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid IUPAC Name: 2-[5-[(4-carbamimidoylbenzoyl)amino]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid Traditional Name: 2-[5-[(4-amidinobenzoyl)amino]-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid Formula: C19H18N4O4 MolecularWeight: 366.37062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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