6-butyl-2-(3,4-dimethoxyphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: 6-butyl-2-(3,4-dimethoxyphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: 6-butyl-2-(3,4-dimethoxyphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 6-butyl-2-(3,4-dimethoxyphenyl)-8-methyl-4-quinolinecarboxylate IUPAC Name: 6-butyl-2-(3,4-dimethoxyphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 6-butyl-2-(3,4-dimethoxyphenyl)-8-methyl-cinchoninate Formula: C23H24NO4- MolecularWeight: 378.44096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC(=C(C=C3)OC)OC)C(=O)[O-])C

Isomeric SMILES

CCCCC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC(=C(C=C3)OC)OC)C(=O)[O-])C

InChI

InChI=1S/C23H25NO4/c1-5-6-7-15-10-14(2)22-17(11-15)18(23(25)26)13-19(24-22)16-8-9-20(27-3)21(12-16)28-4/h8-13H,5-7H2,1-4H3,(H,25,26)/p-1