2-[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-4-yl]ethanoic acid

Systemtic Name: 2-[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-4-yl]ethanoic acid Openeye Name: 2-[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-4-yl]acetic acid CAS Name: 2-[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-4-yl]acetic acid IUPAC Name: 2-[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-4-yl]acetic acid Traditional Name: 2-[1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-4-yl]acetic acid Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NCC(C3=CC(=C(C=C32)OC)OC)CC(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NCC(C3=CC(=C(C=C32)OC)OC)CC(=O)O)OC

InChI

InChI=1S/C21H23NO6/c1-25-14-5-12(6-15(8-14)26-2)21-17-10-19(28-4)18(27-3)9-16(17)13(11-22-21)7-20(23)24/h5-6,8-10,13H,7,11H2,1-4H3,(H,23,24)