2-(4-butan-2-ylphenyl)-6-ethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-butan-2-ylphenyl)-6-ethyl-quinoline-4-carboxylic acid Openeye Name: 6-ethyl-2-(4-sec-butylphenyl)quinoline-4-carboxylic acid CAS Name: 2-(4-butan-2-ylphenyl)-6-ethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-butan-2-ylphenyl)-6-ethylquinoline-4-carboxylic acid Traditional Name: 6-ethyl-2-(4-sec-butylphenyl)cinchoninic acid Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)C(C)CC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)C(C)CC

InChI

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