[1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-bromanylphenoxy)butanoate

Systemtic Name: [1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H18BrClN2O4 MolecularWeight: 441.70352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(N=CC=C1)Cl)OC(=O)CCCOC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C(=O)NC1=C(N=CC=C1)Cl)OC(=O)CCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H18BrClN2O4/c1-12(18(24)22-15-7-3-9-21-17(15)20)26-16(23)8-4-10-25-14-6-2-5-13(19)11-14/h2-3,5-7,9,11-12H,4,8,10H2,1H3,(H,22,24)