[2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-keto-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)CC)C

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)CC)C

InChI

InChI=1S/C25H28N2O3/c1-4-11-21(18-12-7-6-8-13-18)27-23(28)16-30-25(29)24-17(3)20(5-2)26-22-15-10-9-14-19(22)24/h6-10,12-15,21H,4-5,11,16H2,1-3H3,(H,27,28)/t21-/m1/s1