6-butan-2-yl-2-(3-ethoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-butan-2-yl-2-(3-ethoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(3-ethoxyphenyl)-6-sec-butyl-quinoline-4-carboxylic acid CAS Name: 6-butan-2-yl-2-(3-ethoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butan-2-yl-2-(3-ethoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 2-m-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=C3)OCC

Isomeric SMILES

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

InChI

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