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

Systemtic Name: methyl 1-phenylmethoxy-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 1-benzyloxy-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 1-phenylmethoxy-7-(2-pyridinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-phenylmethoxy-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-benzoxy-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C33H30N2O7 MolecularWeight: 566.6005

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N=C(C3=C2C=CC(=C3)OCC4=CC=CC=N4)OCC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N=C(C3=C2C=CC(=C3)OCC4=CC=CC=N4)OCC5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C33H30N2O7/c1-37-27-16-22(17-28(38-2)31(27)39-3)29-25-14-13-24(41-20-23-12-8-9-15-34-23)18-26(25)32(35-30(29)33(36)40-4)42-19-21-10-6-5-7-11-21/h5-18H,19-20H2,1-4H3