[(2R)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [(2R)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate Openeye Name: [(1R)-2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl] 3-ethoxy-4-isobutoxy-benzoate CAS Name: 3-ethoxy-4-(2-methylpropoxy)benzoic 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] 3-ethoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-ethoxy-4-isobutoxy-benzoic acid [(1R)-2-[(2-chloro-3-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H25ClN2O5 MolecularWeight: 420.8866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=C(N=CC=C2)Cl)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)O[C@H](C)C(=O)NC2=C(N=CC=C2)Cl)OCC(C)C

InChI

InChI=1S/C21H25ClN2O5/c1-5-27-18-11-15(8-9-17(18)28-12-13(2)3)21(26)29-14(4)20(25)24-16-7-6-10-23-19(16)22/h6-11,13-14H,5,12H2,1-4H3,(H,24,25)/t14-/m1/s1