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

Systemtic Name: 2-[6-[(4-carbamimidoylphenyl)methoxy]-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]ethanoic acid Openeye Name: 2-[6-[(4-carbamimidoylphenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]acetic acid CAS Name: 2-[6-[(4-carbamimidoylphenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]acetic acid IUPAC Name: 2-[6-[(4-carbamimidoylphenyl)methoxy]-3-oxo-1,4-dihydroisoquinolin-2-yl]acetic acid Traditional Name: 2-[6-(4-amidinobenzyl)oxy-3-keto-1,4-dihydroisoquinolin-2-yl]acetic acid Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN(C1=O)CC(=O)O)C=CC(=C2)OCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1C2=C(CN(C1=O)CC(=O)O)C=CC(=C2)OCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H19N3O4/c20-19(21)13-3-1-12(2-4-13)11-26-16-6-5-14-9-22(10-18(24)25)17(23)8-15(14)7-16/h1-7H,8-11H2,(H3,20,21)(H,24,25)