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

Systemtic Name: 6-butan-2-yl-2-(4-methoxy-2-methyl-phenyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-methoxy-2-methyl-phenyl)-6-sec-butyl-quinoline-4-carboxylic acid CAS Name: 6-butan-2-yl-2-(4-methoxy-2-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butan-2-yl-2-(4-methoxy-2-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-methoxy-2-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=C(C=C(C=C3)OC)C

Isomeric SMILES

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

InChI

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