6-tert-butyl-2-(2-methoxy-5-methyl-phenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-tert-butyl-2-(2-methoxy-5-methyl-phenyl)quinoline-4-carboxylic acid Openeye Name: 6-tert-butyl-2-(2-methoxy-5-methyl-phenyl)quinoline-4-carboxylic acid CAS Name: 6-tert-butyl-2-(2-methoxy-5-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-tert-butyl-2-(2-methoxy-5-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-tert-butyl-2-(2-methoxy-5-methyl-phenyl)cinchoninic acid Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C2=NC3=C(C=C(C=C3)C(C)(C)C)C(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C2=NC3=C(C=C(C=C3)C(C)(C)C)C(=C2)C(=O)O

InChI

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