[5-[(6,7-dimethoxyisoquinolin-1-yl)-oxidanyl-methyl]-2-methoxy-phenyl] benzoate

Systemtic Name: [5-[(6,7-dimethoxyisoquinolin-1-yl)-oxidanyl-methyl]-2-methoxy-phenyl] benzoate Openeye Name: [5-[(6,7-dimethoxy-1-isoquinolyl)-hydroxy-methyl]-2-methoxy-phenyl] benzoate CAS Name: benzoic acid [5-[(6,7-dimethoxy-1-isoquinolinyl)-hydroxymethyl]-2-methoxyphenyl] ester IUPAC Name: [5-[(6,7-dimethoxyisoquinolin-1-yl)-hydroxymethyl]-2-methoxyphenyl] benzoate Traditional Name: benzoic acid [5-[(6,7-dimethoxy-1-isoquinolyl)-hydroxy-methyl]-2-methoxy-phenyl] ester Formula: C26H23NO6 MolecularWeight: 445.46392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)O)OC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)O)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H23NO6/c1-30-20-10-9-18(14-23(20)33-26(29)16-7-5-4-6-8-16)25(28)24-19-15-22(32-3)21(31-2)13-17(19)11-12-27-24/h4-15,25,28H,1-3H3