[2-[(4-carbamimidoylphenyl)amino]-1-ethanoyl-3-(3-methoxy-4-phenylmethoxy-phenyl)-1,4-dihydroisoquinolin-3-yl] hydrogen carbonate

Systemtic Name: [2-[(4-carbamimidoylphenyl)amino]-1-ethanoyl-3-(3-methoxy-4-phenylmethoxy-phenyl)-1,4-dihydroisoquinolin-3-yl] hydrogen carbonate Openeye Name: [1-acetyl-3-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoylanilino)-1,4-dihydroisoquinolin-3-yl] hydrogen carbonate CAS Name: carbonic acid [1-acetyl-2-(4-carbamimidoylanilino)-3-(3-methoxy-4-phenylmethoxyphenyl)-1,4-dihydroisoquinolin-3-yl] ester IUPAC Name: [1-acetyl-2-(4-carbamimidoylanilino)-3-(3-methoxy-4-phenylmethoxyphenyl)-1,4-dihydroisoquinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [1-acetyl-2-(4-amidinoanilino)-3-(4-benzoxy-3-methoxy-phenyl)-1,4-dihydroisoquinolin-3-yl] ester Formula: C33H32N4O6 MolecularWeight: 580.63038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C2=CC=CC=C2CC(N1NC3=CC=C(C=C3)C(=N)N)(C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)OC(=O)O

Isomeric SMILES

CC(=O)C1C2=CC=CC=C2CC(N1NC3=CC=C(C=C3)C(=N)N)(C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)OC(=O)O

InChI

InChI=1S/C33H32N4O6/c1-21(38)30-27-11-7-6-10-24(27)19-33(43-32(39)40,37(30)36-26-15-12-23(13-16-26)31(34)35)25-14-17-28(29(18-25)41-2)42-20-22-8-4-3-5-9-22/h3-18,30,36H,19-20H2,1-2H3,(H3,34,35)(H,39,40)