methyl 1-(piperidin-4-ylmethoxy)-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 1-(piperidin-4-ylmethoxy)-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 1-(4-piperidylmethoxy)-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 1-(4-piperidinylmethoxy)-7-(2-pyridinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(piperidin-4-ylmethoxy)-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-(4-piperidylmethoxy)-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C32H35N3O7 MolecularWeight: 573.6362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N=C(C3=C2C=CC(=C3)OCC4=CC=CC=N4)OCC5CCNCC5)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N=C(C3=C2C=CC(=C3)OCC4=CC=CC=N4)OCC5CCNCC5)C(=O)OC

InChI

InChI=1S/C32H35N3O7/c1-37-26-15-21(16-27(38-2)30(26)39-3)28-24-9-8-23(41-19-22-7-5-6-12-34-22)17-25(24)31(35-29(28)32(36)40-4)42-18-20-10-13-33-14-11-20/h5-9,12,15-17,20,33H,10-11,13-14,18-19H2,1-4H3