3-[2-(hydroxymethyl)-5-methoxy-4-phenylmethoxy-phenyl]-6,7-dimethoxy-2-methyl-isoquinolin-1-one

Systemtic Name: 3-[2-(hydroxymethyl)-5-methoxy-4-phenylmethoxy-phenyl]-6,7-dimethoxy-2-methyl-isoquinolin-1-one Openeye Name: 3-[4-benzyloxy-2-(hydroxymethyl)-5-methoxy-phenyl]-6,7-dimethoxy-2-methyl-isoquinolin-1-one CAS Name: 3-[2-(hydroxymethyl)-5-methoxy-4-phenylmethoxyphenyl]-6,7-dimethoxy-2-methyl-1-isoquinolinone IUPAC Name: 3-[2-(hydroxymethyl)-5-methoxy-4-phenylmethoxyphenyl]-6,7-dimethoxy-2-methylisoquinolin-1-one Traditional Name: 3-(4-benzoxy-5-methoxy-2-methylol-phenyl)-6,7-dimethoxy-2-methyl-isocarbostyril Formula: C27H27NO6 MolecularWeight: 461.50638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=CC(=C(C=C2C1=O)OC)OC)C3=CC(=C(C=C3CO)OCC4=CC=CC=C4)OC

Isomeric SMILES

CN1C(=CC2=CC(=C(C=C2C1=O)OC)OC)C3=CC(=C(C=C3CO)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H27NO6/c1-28-22(10-18-11-23(31-2)24(32-3)14-21(18)27(28)30)20-13-25(33-4)26(12-19(20)15-29)34-16-17-8-6-5-7-9-17/h5-14,29H,15-16H2,1-4H3