6-tert-butyl-2-(4-methoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-tert-butyl-2-(4-methoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 6-tert-butyl-2-(4-methoxyphenyl)quinoline-4-carboxylic acid CAS Name: 6-tert-butyl-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-tert-butyl-2-(4-methoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6-tert-butyl-2-(4-methoxyphenyl)cinchoninic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21NO3/c1-21(2,3)14-7-10-18-16(11-14)17(20(23)24)12-19(22-18)13-5-8-15(25-4)9-6-13/h5-12H,1-4H3,(H,23,24)