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

Systemtic Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]-3-(4-methoxycarbonylphenyl)propanoic acid Openeye Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-3-(4-methoxycarbonylphenyl)propanoic acid CAS Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-3-(4-methoxycarbonylphenyl)propanoic acid IUPAC Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-3-(4-methoxycarbonylphenyl)propanoic acid Traditional Name: 3-[6-(4-amidinobenzyl)oxy-1-keto-3,4-dihydroisoquinolin-2-yl]-3-(4-carbomethoxyphenyl)propionic acid Formula: C28H27N3O6 MolecularWeight: 501.53048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=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

COC(=O)C1=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/C28H27N3O6/c1-36-28(35)20-8-6-18(7-9-20)24(15-25(32)33)31-13-12-21-14-22(10-11-23(21)27(31)34)37-16-17-2-4-19(5-3-17)26(29)30/h2-11,14,24H,12-13,15-16H2,1H3,(H3,29,30)(H,32,33)