[(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-chloranylquinoline-4-carboxylate

Systemtic Name: [(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-chloranylquinoline-4-carboxylate Openeye Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid [(1S)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H17ClN2O3 MolecularWeight: 368.81358

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)Cl

Isomeric SMILES

CN(C)C(=O)[C@H](C1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)Cl

InChI

InChI=1S/C20H17ClN2O3/c1-23(2)19(24)18(13-8-4-3-5-9-13)26-20(25)15-12-17(21)22-16-11-7-6-10-14(15)16/h3-12,18H,1-2H3/t18-/m0/s1