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

Systemtic Name: [2-[(4-cyanophenyl)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-cyanoanilino)-1,4-dihydroisoquinolin-3-yl] hydrogen carbonate CAS Name: carbonic acid [1-acetyl-2-(4-cyanoanilino)-3-(3-methoxy-4-phenylmethoxyphenyl)-1,4-dihydroisoquinolin-3-yl] ester IUPAC Name: [1-acetyl-2-(4-cyanoanilino)-3-(3-methoxy-4-phenylmethoxyphenyl)-1,4-dihydroisoquinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [1-acetyl-3-(4-benzoxy-3-methoxy-phenyl)-2-(4-cyanoanilino)-1,4-dihydroisoquinolin-3-yl] ester Formula: C33H29N3O6 MolecularWeight: 563.59986

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H29N3O6/c1-22(37)31-28-11-7-6-10-25(28)19-33(42-32(38)39,36(31)35-27-15-12-23(20-34)13-16-27)26-14-17-29(30(18-26)40-2)41-21-24-8-4-3-5-9-24/h3-18,31,35H,19,21H2,1-2H3,(H,38,39)