[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propoxyphenyl)butanoate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propoxyphenyl)butanoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 4-oxo-4-(4-propoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-propoxyphenyl)butanoic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate Traditional Name: 4-keto-4-(4-propoxyphenyl)butyric acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(N=CC=C2)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C20H21ClN2O5/c1-2-12-27-15-7-5-14(6-8-15)17(24)9-10-19(26)28-13-18(25)23-16-4-3-11-22-20(16)21/h3-8,11H,2,9-10,12-13H2,1H3,(H,23,25)