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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=C(C=C2)OCC3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C1CN(C(=O)C2=C1C=C(C=C2)OCC3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C19H19N3O4/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/h1-6,9H,7-8,10-11H2,(H3,20,21)(H,23,24)