6-butyl-2-(2-methoxy-5-methyl-phenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-butyl-2-(2-methoxy-5-methyl-phenyl)quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-(2-methoxy-5-methyl-phenyl)quinoline-4-carboxylic acid CAS Name: 6-butyl-2-(2-methoxy-5-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-(2-methoxy-5-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-butyl-2-(2-methoxy-5-methyl-phenyl)cinchoninic acid Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C=CC(=C3)C)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=C(C=CC(=C3)C)OC

InChI

InChI=1S/C22H23NO3/c1-4-5-6-15-8-9-19-16(12-15)17(22(24)25)13-20(23-19)18-11-14(2)7-10-21(18)26-3/h7-13H,4-6H2,1-3H3,(H,24,25)