2-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxidanylidene-isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxidanylidene-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-2-isoquinolyl]acetic acid CAS Name: 2-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-2-isoquinolinyl]acetic acid IUPAC Name: 2-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxoisoquinolin-2-yl]acetic acid Traditional Name: 2-[6-(4-amidinobenzyl)oxy-1-keto-2-isoquinolyl]acetic acid Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=CC3=C(C=C2)C(=O)N(C=C3)CC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1COC2=CC3=C(C=C2)C(=O)N(C=C3)CC(=O)O)C(=N)N

InChI

InChI=1S/C19H17N3O4/c20-18(21)13-3-1-12(2-4-13)11-26-15-5-6-16-14(9-15)7-8-22(19(16)25)10-17(23)24/h1-9H,10-11H2,(H3,20,21)(H,23,24)