(4-tert-butylphenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid (4-tert-butylbenzyl) ester Formula: C28H27NO2 MolecularWeight: 409.51948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H27NO2/c1-19-9-13-21(14-10-19)26-17-24(23-7-5-6-8-25(23)29-26)27(30)31-18-20-11-15-22(16-12-20)28(2,3)4/h5-17H,18H2,1-4H3