(5-methyl-2-propan-2-yl-phenyl) 2-(3-chlorophenyl)-3,6,8-trimethyl-quinoline-4-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 2-(3-chlorophenyl)-3,6,8-trimethyl-quinoline-4-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) 2-(3-chlorophenyl)-3,6,8-trimethyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3,6,8-trimethyl-4-quinolinecarboxylic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3,6,8-trimethyl-cinchoninic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C29H28ClNO2 MolecularWeight: 457.99112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=C(C(=NC3=C(C=C(C=C23)C)C)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=C(C(=NC3=C(C=C(C=C23)C)C)C4=CC(=CC=C4)Cl)C

InChI

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