[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2,6-dimethylquinoline-3-carboxylate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2,6-dimethylquinoline-3-carboxylate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 2,6-dimethylquinoline-3-carboxylate CAS Name: 2,6-dimethyl-3-quinolinecarboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate Traditional Name: 2,6-dimethylquinoline-3-carboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)OCC(=O)C3=CC=C(C=C3)CCCNC(=O)C

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)OCC(=O)C3=CC=C(C=C3)CCCNC(=O)C

InChI

InChI=1S/C25H26N2O4/c1-16-6-11-23-21(13-16)14-22(17(2)27-23)25(30)31-15-24(29)20-9-7-19(8-10-20)5-4-12-26-18(3)28/h6-11,13-14H,4-5,12,15H2,1-3H3,(H,26,28)