[(2R)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxybenzoate

Systemtic Name: [(2R)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxybenzoate Openeye Name: [(1R)-2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [(1R)-2-[(2-chloro-3-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H21ClN2O4 MolecularWeight: 376.83404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=C(N=CC=C2)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C19H21ClN2O4/c1-3-4-12-25-15-9-7-14(8-10-15)19(24)26-13(2)18(23)22-16-6-5-11-21-17(16)20/h5-11,13H,3-4,12H2,1-2H3,(H,22,23)/t13-/m1/s1