6-tert-butyl-2-(4-methoxy-3-methyl-phenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-tert-butyl-2-(4-methoxy-3-methyl-phenyl)quinoline-4-carboxylic acid Openeye Name: 6-tert-butyl-2-(4-methoxy-3-methyl-phenyl)quinoline-4-carboxylic acid CAS Name: 6-tert-butyl-2-(4-methoxy-3-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-tert-butyl-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-tert-butyl-2-(4-methoxy-3-methyl-phenyl)cinchoninic acid Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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