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

Systemtic Name: 2-(3-bromanyl-4-hexoxy-5-methoxy-phenyl)-8-methoxy-quinoline-4-carboxylic acid Openeye Name: 2-(3-bromo-4-hexoxy-5-methoxy-phenyl)-8-methoxy-quinoline-4-carboxylic acid CAS Name: 2-(3-bromo-4-hexoxy-5-methoxyphenyl)-8-methoxy-4-quinolinecarboxylic acid IUPAC Name: 2-(3-bromo-4-hexoxy-5-methoxyphenyl)-8-methoxyquinoline-4-carboxylic acid Traditional Name: 2-(3-bromo-4-hexoxy-5-methoxy-phenyl)-8-methoxy-cinchoninic acid Formula: C24H26BrNO5 MolecularWeight: 488.37094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Br)C2=NC3=C(C=CC=C3OC)C(=C2)C(=O)O)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Br)C2=NC3=C(C=CC=C3OC)C(=C2)C(=O)O)OC

InChI

InChI=1S/C24H26BrNO5/c1-4-5-6-7-11-31-23-18(25)12-15(13-21(23)30-3)19-14-17(24(27)28)16-9-8-10-20(29-2)22(16)26-19/h8-10,12-14H,4-7,11H2,1-3H3,(H,27,28)