2-(4-hexoxy-3-methoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-hexoxy-3-methoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-hexoxy-3-methoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid CAS Name: 2-(4-hexoxy-3-methoxyphenyl)-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-hexoxy-3-methoxyphenyl)-8-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-hexoxy-3-methoxy-phenyl)-8-methyl-cinchoninic acid Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)O)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)O)OC

InChI

InChI=1S/C24H27NO4/c1-4-5-6-7-13-29-21-12-11-17(14-22(21)28-3)20-15-19(24(26)27)18-10-8-9-16(2)23(18)25-20/h8-12,14-15H,4-7,13H2,1-3H3,(H,26,27)