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

Systemtic Name: 2-(3-bromanyl-4-butoxy-5-methoxy-phenyl)-8-methoxy-quinoline-4-carboxylic acid Openeye Name: 2-(3-bromo-4-butoxy-5-methoxy-phenyl)-8-methoxy-quinoline-4-carboxylic acid CAS Name: 2-(3-bromo-4-butoxy-5-methoxyphenyl)-8-methoxy-4-quinolinecarboxylic acid IUPAC Name: 2-(3-bromo-4-butoxy-5-methoxyphenyl)-8-methoxyquinoline-4-carboxylic acid Traditional Name: 2-(3-bromo-4-butoxy-5-methoxy-phenyl)-8-methoxy-cinchoninic acid Formula: C22H22BrNO5 MolecularWeight: 460.31778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C2=NC3=C(C=CC=C3OC)C(=C2)C(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)C2=NC3=C(C=CC=C3OC)C(=C2)C(=O)O)OC

InChI

InChI=1S/C22H22BrNO5/c1-4-5-9-29-21-16(23)10-13(11-19(21)28-3)17-12-15(22(25)26)14-7-6-8-18(27-2)20(14)24-17/h6-8,10-12H,4-5,9H2,1-3H3,(H,25,26)