6-butan-2-yl-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-butan-2-yl-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(2,4-dimethylphenyl)-6-sec-butyl-quinoline-4-carboxylic acid CAS Name: 6-butan-2-yl-2-(2,4-dimethylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butan-2-yl-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(2,4-dimethylphenyl)-6-sec-butyl-cinchoninic acid Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO2/c1-5-14(3)16-7-9-20-18(11-16)19(22(24)25)12-21(23-20)17-8-6-13(2)10-15(17)4/h6-12,14H,5H2,1-4H3,(H,24,25)