[2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxidanylidene-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate

Systemtic Name: [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxidanylidene-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate Openeye Name: [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxo-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate CAS Name: 2-ethyl-4-methyl-3-quinolinecarboxylic acid [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate Traditional Name: 2-ethyl-4-methyl-quinoline-3-carboxylic acid [2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-keto-ethyl] ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC(=O)C3=CC=C(C=C3)C(C)NC(=O)C)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC(=O)C3=CC=C(C=C3)[C@H](C)NC(=O)C)C

InChI

InChI=1S/C25H26N2O4/c1-5-21-24(15(2)20-8-6-7-9-22(20)27-21)25(30)31-14-23(29)19-12-10-18(11-13-19)16(3)26-17(4)28/h6-13,16H,5,14H2,1-4H3,(H,26,28)/t16-/m0/s1