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

Systemtic Name: methyl 1-(2-pyridin-2-ylethoxy)-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 1-[2-(2-pyridyl)ethoxy]-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 1-[2-(2-pyridinyl)ethoxy]-7-(2-pyridinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-pyridin-2-ylethoxy)-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-[2-(2-pyridyl)ethoxy]-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C33H31N3O7 MolecularWeight: 581.61514

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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)OCCC5=CC=CC=N5)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N=C(C3=C2C=CC(=C3)OCC4=CC=CC=N4)OCCC5=CC=CC=N5)C(=O)OC

InChI

InChI=1S/C33H31N3O7/c1-38-27-17-21(18-28(39-2)31(27)40-3)29-25-12-11-24(43-20-23-10-6-8-15-35-23)19-26(25)32(36-30(29)33(37)41-4)42-16-13-22-9-5-7-14-34-22/h5-12,14-15,17-19H,13,16,20H2,1-4H3