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

Systemtic Name: 6-butan-2-yl-2-(2-ethoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(2-ethoxyphenyl)-6-sec-butyl-quinoline-4-carboxylic acid CAS Name: 6-butan-2-yl-2-(2-ethoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butan-2-yl-2-(2-ethoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 2-o-phenetyl-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=CC=CC=C3OCC

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CC=C3OCC

InChI

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