[(2S)-1-oxidanylidene-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] quinoline-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C)OC(=O)C1=NC2=CC=CC=C2C=C1)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](CNC(=O)[C@H](C)OC(=O)C1=NC2=CC=CC=C2C=C1)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3/c1-15(17-8-4-3-5-9-17)14-23-21(25)16(2)27-22(26)20-13-12-18-10-6-7-11-19(18)24-20/h3-13,15-16H,14H2,1-2H3,(H,23,25)/t15-,16-/m0/s1