6-butan-2-yl-2-(4-methoxy-3-methyl-phenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-butan-2-yl-2-(4-methoxy-3-methyl-phenyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-methoxy-3-methyl-phenyl)-6-sec-butyl-quinoline-4-carboxylic acid CAS Name: 6-butan-2-yl-2-(4-methoxy-3-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butan-2-yl-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-methoxy-3-methyl-phenyl)-6-sec-butyl-cinchoninic acid Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3/c1-5-13(2)15-6-8-19-17(11-15)18(22(24)25)12-20(23-19)16-7-9-21(26-4)14(3)10-16/h6-13H,5H2,1-4H3,(H,24,25)