3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid

Systemtic Name: 3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid Openeye Name: 3-(6,7-dimethoxy-1-isoquinolyl)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid CAS Name: 3-(6,7-dimethoxy-1-isoquinolinyl)-3-(3,4-dimethoxyphenyl)-2-propenoic acid IUPAC Name: 3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid Traditional Name: 3-(6,7-dimethoxy-1-isoquinolyl)-3-(3,4-dimethoxyphenyl)acrylic acid Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6/c1-26-17-6-5-13(9-18(17)27-2)16(12-21(24)25)22-15-11-20(29-4)19(28-3)10-14(15)7-8-23-22/h5-12H,1-4H3,(H,24,25)