2-[7-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[7-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]ethanoic acid Openeye Name: 2-[7-[(4-carbamimidoylbenzoyl)amino]-3-oxo-1,4-dihydroisoquinolin-2-yl]acetic acid CAS Name: 2-[7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-oxo-1,4-dihydroisoquinolin-2-yl]acetic acid IUPAC Name: 2-[7-[(4-carbamimidoylbenzoyl)amino]-3-oxo-1,4-dihydroisoquinolin-2-yl]acetic acid Traditional Name: 2-[7-[(4-amidinobenzoyl)amino]-3-keto-1,4-dihydroisoquinolin-2-yl]acetic acid Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN(C1=O)CC(=O)O)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1C2=C(CN(C1=O)CC(=O)O)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

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