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

Systemtic Name: (2-butan-2-ylphenyl) 2-(3-chlorophenyl)-3,6,8-trimethyl-quinoline-4-carboxylate Openeye Name: (2-sec-butylphenyl) 2-(3-chlorophenyl)-3,6,8-trimethyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3,6,8-trimethyl-4-quinolinecarboxylic acid (2-butan-2-ylphenyl) ester IUPAC Name: (2-butan-2-ylphenyl) 2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3,6,8-trimethyl-cinchoninic acid (2-sec-butylphenyl) ester Formula: C29H28ClNO2 MolecularWeight: 457.99112

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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(=CC=C4)Cl)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)Cl)C

InChI

InChI=1S/C29H28ClNO2/c1-6-18(3)23-12-7-8-13-25(23)33-29(32)26-20(5)28(21-10-9-11-22(30)16-21)31-27-19(4)14-17(2)15-24(26)27/h7-16,18H,6H2,1-5H3