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

Systemtic Name: [(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-chloranylquinoline-4-carboxylate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O4/c1-2-23-21(28)25-19(26)18(13-8-4-3-5-9-13)29-20(27)15-12-17(22)24-16-11-7-6-10-14(15)16/h3-12,18H,2H2,1H3,(H2,23,25,26,28)/t18-/m0/s1