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

Systemtic Name: (4-tert-butylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid (4-tert-butylbenzyl) ester Formula: C33H29NO2 MolecularWeight: 471.58886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H29NO2/c1-33(2,3)27-19-13-23(14-20-27)22-36-32(35)29-21-31(34-30-12-8-7-11-28(29)30)26-17-15-25(16-18-26)24-9-5-4-6-10-24/h4-21H,22H2,1-3H3