4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(E)-4-(1-methylimidazol-2-yl)but-1-enyl]quinoline-3-carboxylate

Systemtic Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(E)-4-(1-methylimidazol-2-yl)but-1-enyl]quinoline-3-carboxylate Openeye Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(E)-4-(1-methylimidazol-2-yl)but-1-enyl]quinoline-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(E)-4-(1-methyl-2-imidazolyl)but-1-enyl]-3-quinolinecarboxylate IUPAC Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(E)-4-(1-methylimidazol-2-yl)but-1-enyl]quinoline-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(E)-4-(1-methylimidazol-2-yl)but-1-enyl]quinoline-3-carboxylate Formula: C28H28N3O6- MolecularWeight: 502.53842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CCC=CC2=NC3=CC(=C(C=C3C(=C2C(=O)[O-])C4=CC(=C(C=C4)OC)OC)OC)OC

Isomeric SMILES

CN1C=CN=C1CC/C=C/C2=NC3=CC(=C(C=C3C(=C2C(=O)[O-])C4=CC(=C(C=C4)OC)OC)OC)OC

InChI

InChI=1S/C28H29N3O6/c1-31-13-12-29-25(31)9-7-6-8-19-27(28(32)33)26(17-10-11-21(34-2)22(14-17)35-3)18-15-23(36-4)24(37-5)16-20(18)30-19/h6,8,10-16H,7,9H2,1-5H3,(H,32,33)/p-1/b8-6+