(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C30H31NO2 MolecularWeight: 437.57264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=C(C=C(C=C4C)C(C)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=C(C=C(C=C4C)C(C)(C)C)C

InChI

InChI=1S/C30H31NO2/c1-19-11-13-22(14-12-19)28-17-25(24-9-7-8-10-27(24)31-28)29(32)33-18-26-20(2)15-23(16-21(26)3)30(4,5)6/h7-17H,18H2,1-6H3