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

Systemtic Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]-3-(4-methoxyphenyl)propanoic acid Openeye Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-3-(4-methoxyphenyl)propanoic acid Traditional Name: 3-[6-(4-amidinobenzyl)oxy-1-keto-3,4-dihydroisoquinolin-2-yl]-3-(4-methoxyphenyl)propionic acid Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)O)N2CCC3=C(C2=O)C=CC(=C3)OCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)O)N2CCC3=C(C2=O)C=CC(=C3)OCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H27N3O5/c1-34-21-8-6-18(7-9-21)24(15-25(31)32)30-13-12-20-14-22(10-11-23(20)27(30)33)35-16-17-2-4-19(5-3-17)26(28)29/h2-11,14,24H,12-13,15-16H2,1H3,(H3,28,29)(H,31,32)