2-[1-[(4-carbamimidoylphenyl)amino]-3-carboxyoxy-4-ethanoyl-2-(3-methoxy-4-phenylmethoxy-phenyl)-3,4-dihydroisoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[1-[(4-carbamimidoylphenyl)amino]-3-carboxyoxy-4-ethanoyl-2-(3-methoxy-4-phenylmethoxy-phenyl)-3,4-dihydroisoquinolin-1-yl]ethanoic acid Openeye Name: 2-[4-acetyl-2-(4-benzyloxy-3-methoxy-phenyl)-1-(4-carbamimidoylanilino)-3-carboxyoxy-3,4-dihydroisoquinolin-1-yl]acetic acid CAS Name: 2-[4-acetyl-1-(4-carbamimidoylanilino)-3-carboxyoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dihydroisoquinolin-1-yl]acetic acid IUPAC Name: 2-[4-acetyl-1-(4-carbamimidoylanilino)-3-carboxyoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dihydroisoquinolin-1-yl]acetic acid Traditional Name: 2-[4-acetyl-1-(4-amidinoanilino)-2-(4-benzoxy-3-methoxy-phenyl)-3-carboxyoxy-3,4-dihydroisoquinolin-1-yl]acetic acid Formula: C35H34N4O8 MolecularWeight: 638.66646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(N(C(C2=CC=CC=C12)(CC(=O)O)NC3=CC=C(C=C3)C(=N)N)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)OC(=O)O

Isomeric SMILES

CC(=O)C1C(N(C(C2=CC=CC=C12)(CC(=O)O)NC3=CC=C(C=C3)C(=N)N)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)OC(=O)O

InChI

InChI=1S/C35H34N4O8/c1-21(40)31-26-10-6-7-11-27(26)35(19-30(41)42,38-24-14-12-23(13-15-24)32(36)37)39(33(31)47-34(43)44)25-16-17-28(29(18-25)45-2)46-20-22-8-4-3-5-9-22/h3-18,31,33,38H,19-20H2,1-2H3,(H3,36,37)(H,41,42)(H,43,44)