(2-butan-2-ylphenyl) 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC(=O)C2=C(C(=NC3=C(C=C(C=C23)C)C)C4=CC=C(C=C4)OCC5=CC=CC=C5)C

Isomeric SMILES

CCC(C)C1=CC=CC=C1OC(=O)C2=C(C(=NC3=C(C=C(C=C23)C)C)C4=CC=C(C=C4)OCC5=CC=CC=C5)C

InChI

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