(3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-cyclohexylphenyl)quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-cyclohexylphenyl)quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(4-cyclohexylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-cyclohexylphenyl)-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(4-cyclohexylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-cyclohexylphenyl)cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C28H31NO3 MolecularWeight: 429.55064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C28H31NO3/c1-28(2,3)26(30)18-32-27(31)23-17-25(29-24-12-8-7-11-22(23)24)21-15-13-20(14-16-21)19-9-5-4-6-10-19/h7-8,11-17,19H,4-6,9-10,18H2,1-3H3