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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)C(C)(C)C)C(=C2)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)C(C)(C)C)C(=C2)C(=O)O

InChI

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