[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-chloranylquinoline-4-carboxylate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-chloranylquinoline-4-carboxylate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H17ClN2O3 MolecularWeight: 380.82428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=NC4=CC=CC=C43)Cl

Isomeric SMILES

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC(=NC4=CC=CC=C43)Cl

InChI

InChI=1S/C21H17ClN2O3/c22-18-12-16(15-8-4-5-9-17(15)24-18)21(26)27-19(13-6-2-1-3-7-13)20(25)23-14-10-11-14/h1-9,12,14,19H,10-11H2,(H,23,25)/t19-/m1/s1