(4-tert-butylphenyl) 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (4-tert-butylphenyl) 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: (4-tert-butylphenyl) 2-(4-benzyloxyphenyl)-3,6,8-trimethyl-quinoline-4-carboxylate CAS Name: 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3,6,8-trimethyl-cinchoninic acid (4-tert-butylphenyl) ester Formula: C36H35NO3 MolecularWeight: 529.668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OC5=CC=C(C=C5)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OC5=CC=C(C=C5)C(C)(C)C)C

InChI

InChI=1S/C36H35NO3/c1-23-20-24(2)33-31(21-23)32(35(38)40-30-18-14-28(15-19-30)36(4,5)6)25(3)34(37-33)27-12-16-29(17-13-27)39-22-26-10-8-7-9-11-26/h7-21H,22H2,1-6H3