sodium (E)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enoate

Systemtic Name: sodium (E)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: sodium (E)-3-(6,7-dimethoxy-1-isoquinolyl)-3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: sodium (E)-3-(6,7-dimethoxy-1-isoquinolinyl)-3-(3,4-dimethoxyphenyl)-2-propenoate IUPAC Name: sodium (E)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: sodium (E)-3-(6,7-dimethoxy-1-isoquinolyl)-3-(3,4-dimethoxyphenyl)acrylate Formula: C22H20NNaO6 MolecularWeight: 417.38707

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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.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=C\C(=O)[O-])/C2=NC=CC3=CC(=C(C=C32)OC)OC)OC.[Na+]

InChI

InChI=1S/C22H21NO6.Na/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);/q;+1/p-1/b16-12+;