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

Systemtic Name: 6,7-dimethoxy-3-[5-methoxy-2-(methoxymethoxymethyl)-4-phenylmethoxy-phenyl]-2H-isoquinolin-1-one Openeye Name: 3-[4-benzyloxy-5-methoxy-2-(methoxymethoxymethyl)phenyl]-6,7-dimethoxy-2H-isoquinolin-1-one CAS Name: 6,7-dimethoxy-3-[5-methoxy-2-(methoxymethoxymethyl)-4-phenylmethoxyphenyl]-2H-isoquinolin-1-one IUPAC Name: 6,7-dimethoxy-3-[5-methoxy-2-(methoxymethoxymethyl)-4-phenylmethoxyphenyl]-2H-isoquinolin-1-one Traditional Name: 3-[4-benzoxy-5-methoxy-2-(methoxymethoxymethyl)phenyl]-6,7-dimethoxy-isocarbostyril Formula: C28H29NO7 MolecularWeight: 491.53236

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Descriptors Computed from Structure

Canonical SMILES:

COCOCC1=CC(=C(C=C1C2=CC3=CC(=C(C=C3C(=O)N2)OC)OC)OC)OCC4=CC=CC=C4

Isomeric SMILES

COCOCC1=CC(=C(C=C1C2=CC3=CC(=C(C=C3C(=O)N2)OC)OC)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C28H29NO7/c1-31-17-35-16-20-12-27(36-15-18-8-6-5-7-9-18)26(34-4)13-21(20)23-10-19-11-24(32-2)25(33-3)14-22(19)28(30)29-23/h5-14H,15-17H2,1-4H3,(H,29,30)