6-butyl-2-(3-ethoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-butyl-2-(3-ethoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-(3-ethoxyphenyl)quinoline-4-carboxylic acid CAS Name: 6-butyl-2-(3-ethoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-(3-ethoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6-butyl-2-m-phenetyl-cinchoninic acid Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=CC=C3)OCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=CC=C3)OCC

InChI

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