[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 2-chloranylquinoline-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 2-chloranylquinoline-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester Formula: C23H23ClN2O3 MolecularWeight: 410.89332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC(=O)C1=CC(=NC2=CC=CC=C21)Cl)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)OC(=O)C1=CC(=NC2=CC=CC=C21)Cl)C3=CC=CC=C3

InChI

InChI=1S/C23H23ClN2O3/c1-3-16(17-9-5-4-6-10-17)14-25-22(27)15(2)29-23(28)19-13-21(24)26-20-12-8-7-11-18(19)20/h4-13,15-16H,3,14H2,1-2H3,(H,25,27)/t15-,16+/m0/s1