2-(3-bromanyl-5-methoxy-4-pentoxy-phenyl)-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-pentoxy-phenyl)-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(3-bromo-5-methoxy-4-pentoxy-phenyl)-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-(3-bromo-5-methoxy-4-pentoxyphenyl)-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-bromo-5-methoxy-4-pentoxyphenyl)-6-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-amoxy-3-bromo-5-methoxy-phenyl)-6-methyl-cinchoninic acid Formula: C23H24BrNO4 MolecularWeight: 458.34496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1Br)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)O)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1Br)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)O)OC

InChI

InChI=1S/C23H24BrNO4/c1-4-5-6-9-29-22-18(24)11-15(12-21(22)28-3)20-13-17(23(26)27)16-10-14(2)7-8-19(16)25-20/h7-8,10-13H,4-6,9H2,1-3H3,(H,26,27)