[1-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl] 5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate

Systemtic Name: [1-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl] 5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate Openeye Name: [2-[(3,5-dichloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 5-oxo-1-phenethyl-pyrrolidine-3-carboxylate CAS Name: 5-oxo-1-phenethyl-3-pyrrolidinecarboxylic acid [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3,5-dichloropyridin-2-yl)amino]-1-oxopropan-2-yl] 5-oxo-1-phenethylpyrrolidine-3-carboxylate Traditional Name: 5-keto-1-phenethyl-pyrrolidine-3-carboxylic acid [2-[(3,5-dichloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H21Cl2N3O4 MolecularWeight: 450.31514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H21Cl2N3O4/c1-13(20(28)25-19-17(23)10-16(22)11-24-19)30-21(29)15-9-18(27)26(12-15)8-7-14-5-3-2-4-6-14/h2-6,10-11,13,15H,7-9,12H2,1H3,(H,24,25,28)