6-ethyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-ethyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid Openeye Name: 6-ethyl-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid CAS Name: 6-ethyl-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-ethyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid Traditional Name: 6-ethyl-2-(3-isobutoxyphenyl)cinchoninic acid Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3/c1-4-15-8-9-20-18(10-15)19(22(24)25)12-21(23-20)16-6-5-7-17(11-16)26-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,24,25)