[4-[(6,7-dimethoxyisoquinolin-1-yl)-oxidanyl-methyl]-2-methoxy-phenyl] benzoate

Systemtic Name: [4-[(6,7-dimethoxyisoquinolin-1-yl)-oxidanyl-methyl]-2-methoxy-phenyl] benzoate Openeye Name: [4-[(6,7-dimethoxy-1-isoquinolyl)-hydroxy-methyl]-2-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(6,7-dimethoxy-1-isoquinolinyl)-hydroxymethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(6,7-dimethoxyisoquinolin-1-yl)-hydroxymethyl]-2-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(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=C2C(=C1)C=CN=C2C(C3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4)OC)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2C(C3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4)OC)O)OC

InChI

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