2-(4-butan-2-ylphenyl)-3-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-butan-2-ylphenyl)-3-methyl-quinoline-4-carboxylic acid Openeye Name: 3-methyl-2-(4-sec-butylphenyl)quinoline-4-carboxylic acid CAS Name: 2-(4-butan-2-ylphenyl)-3-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-butan-2-ylphenyl)-3-methylquinoline-4-carboxylic acid Traditional Name: 3-methyl-2-(4-sec-butylphenyl)cinchoninic acid Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)O

InChI

InChI=1S/C21H21NO2/c1-4-13(2)15-9-11-16(12-10-15)20-14(3)19(21(23)24)17-7-5-6-8-18(17)22-20/h5-13H,4H2,1-3H3,(H,23,24)