6-butan-2-yl-2-(4-ethylphenyl)quinoline-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(C)CC)C(=C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(C)CC)C(=C2)C(=O)O

InChI

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