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

Systemtic Name: methyl 1-(3-azanylpropoxy)-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 1-(3-aminopropoxy)-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 1-(3-aminopropoxy)-7-(2-pyridinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-aminopropoxy)-7-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-(3-aminopropoxy)-7-(2-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C29H31N3O7 MolecularWeight: 533.57234

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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)OCCCN)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O7/c1-34-23-14-18(15-24(35-2)27(23)36-3)25-21-10-9-20(39-17-19-8-5-6-12-31-19)16-22(21)28(38-13-7-11-30)32-26(25)29(33)37-4/h5-6,8-10,12,14-16H,7,11,13,17,30H2,1-4H3