[2-(4-butylphenyl)-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C25H27NO3 MolecularWeight: 389.48678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)CC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)CC)C

InChI

InChI=1S/C25H27NO3/c1-4-6-9-18-12-14-19(15-13-18)23(27)16-29-25(28)24-17(3)21(5-2)26-22-11-8-7-10-20(22)24/h7-8,10-15H,4-6,9,16H2,1-3H3