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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCNC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCNC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)C)C

InChI

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