[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C29H33NO3 MolecularWeight: 443.57722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C29H33NO3/c1-3-10-25-23(4-2)28(24-13-8-9-14-26(24)30-25)29(32)33-19-27(31)22-17-15-21(16-18-22)20-11-6-5-7-12-20/h8-9,13-18,20H,3-7,10-12,19H2,1-2H3