[(2R)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-propylphenyl)butanoate

Systemtic Name: [(2R)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-propylphenyl)butanoate Openeye Name: [(1R)-2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 4-oxo-4-(4-propylphenyl)butanoate CAS Name: 4-oxo-4-(4-propylphenyl)butanoic acid [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-oxo-4-(4-propylphenyl)butanoate Traditional Name: 4-keto-4-(4-propylphenyl)butyric acid [(1R)-2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CCC(=O)O[C@H](C)C(=O)NC2=NC=C(C=C2)Cl

InChI

InChI=1S/C21H23ClN2O4/c1-3-4-15-5-7-16(8-6-15)18(25)10-12-20(26)28-14(2)21(27)24-19-11-9-17(22)13-23-19/h5-9,11,13-14H,3-4,10,12H2,1-2H3,(H,23,24,27)/t14-/m1/s1