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

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] quinoline-2-carboxylate Openeye Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H22N2O3/c1-2-8-18(16-9-4-3-5-10-16)24-21(25)15-27-22(26)20-14-13-17-11-6-7-12-19(17)23-20/h3-7,9-14,18H,2,8,15H2,1H3,(H,24,25)/t18-/m1/s1