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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C35H33NO2 MolecularWeight: 499.64202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5)C)C(C)(C)C

InChI

InChI=1S/C35H33NO2/c1-23-19-28(35(3,4)5)20-24(2)31(23)22-38-34(37)30-21-33(36-32-14-10-9-13-29(30)32)27-17-15-26(16-18-27)25-11-7-6-8-12-25/h6-21H,22H2,1-5H3