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

Systemtic Name: (2-butan-2-ylphenyl) 3,6,8-trimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: (2-sec-butylphenyl) 3,6,8-trimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3,6,8-trimethyl-2-phenyl-4-quinolinecarboxylic acid (2-butan-2-ylphenyl) ester IUPAC Name: (2-butan-2-ylphenyl) 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 3,6,8-trimethyl-2-phenyl-cinchoninic acid (2-sec-butylphenyl) ester Formula: C29H29NO2 MolecularWeight: 423.54606

Click to see the large picture

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=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C29H29NO2/c1-6-19(3)23-14-10-11-15-25(23)32-29(31)26-21(5)28(22-12-8-7-9-13-22)30-27-20(4)16-18(2)17-24(26)27/h7-17,19H,6H2,1-5H3