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

Systemtic Name: 2-(4-hexoxy-3-methoxy-phenyl)-8-methoxy-quinoline-4-carboxylic acid Openeye Name: 2-(4-hexoxy-3-methoxy-phenyl)-8-methoxy-quinoline-4-carboxylic acid CAS Name: 2-(4-hexoxy-3-methoxyphenyl)-8-methoxy-4-quinolinecarboxylic acid IUPAC Name: 2-(4-hexoxy-3-methoxyphenyl)-8-methoxyquinoline-4-carboxylic acid Traditional Name: 2-(4-hexoxy-3-methoxy-phenyl)-8-methoxy-cinchoninic acid Formula: C24H27NO5 MolecularWeight: 409.47488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3OC)C(=C2)C(=O)O)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3OC)C(=C2)C(=O)O)OC

InChI

InChI=1S/C24H27NO5/c1-4-5-6-7-13-30-20-12-11-16(14-22(20)29-3)19-15-18(24(26)27)17-9-8-10-21(28-2)23(17)25-19/h8-12,14-15H,4-7,13H2,1-3H3,(H,26,27)