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

Systemtic Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]-3-phenyl-propanoic acid Openeye Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-3-phenyl-propanoic acid CAS Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-3-phenylpropanoic acid IUPAC Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-3-phenylpropanoic acid Traditional Name: 3-[6-(4-amidinobenzyl)oxy-1-keto-3,4-dihydroisoquinolin-2-yl]-3-phenyl-propionic acid Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=C(C=C2)OCC3=CC=C(C=C3)C(=N)N)C(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(=O)C2=C1C=C(C=C2)OCC3=CC=C(C=C3)C(=N)N)C(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O4/c27-25(28)19-8-6-17(7-9-19)16-33-21-10-11-22-20(14-21)12-13-29(26(22)32)23(15-24(30)31)18-4-2-1-3-5-18/h1-11,14,23H,12-13,15-16H2,(H3,27,28)(H,30,31)