2-(3-bromanyl-4-hexoxy-5-methoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-bromanyl-4-hexoxy-5-methoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(3-bromo-4-hexoxy-5-methoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid CAS Name: 2-(3-bromo-4-hexoxy-5-methoxyphenyl)-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-bromo-4-hexoxy-5-methoxyphenyl)-8-methylquinoline-4-carboxylic acid Traditional Name: 2-(3-bromo-4-hexoxy-5-methoxy-phenyl)-8-methyl-cinchoninic acid Formula: C24H26BrNO4 MolecularWeight: 472.37154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Br)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)O)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Br)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)O)OC

InChI

InChI=1S/C24H26BrNO4/c1-4-5-6-7-11-30-23-19(25)12-16(13-21(23)29-3)20-14-18(24(27)28)17-10-8-9-15(2)22(17)26-20/h8-10,12-14H,4-7,11H2,1-3H3,(H,27,28)