[2-oxidanylidene-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] quinoline-8-carboxylate

Systemtic Name: [2-oxidanylidene-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] quinoline-8-carboxylate Openeye Name: [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] quinoline-8-carboxylate CAS Name: 8-quinolinecarboxylic acid [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] quinoline-8-carboxylate Traditional Name: quinoline-8-carboxylic acid [2-keto-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] ester Formula: C24H26N2O4 MolecularWeight: 406.47424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCNC(=O)COC(=O)C2=CC=CC3=C2N=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCNC(=O)COC(=O)C2=CC=CC3=C2N=CC=C3)C)C

InChI

InChI=1S/C24H26N2O4/c1-16-13-17(2)18(3)21(14-16)29-12-6-11-25-22(27)15-30-24(28)20-9-4-7-19-8-5-10-26-23(19)20/h4-5,7-10,13-14H,6,11-12,15H2,1-3H3,(H,25,27)