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

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-pentylphenyl)butanoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 4-oxo-4-(4-pentylphenyl)butanoate CAS Name: 4-oxo-4-(4-pentylphenyl)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-pentylphenyl)butanoate Traditional Name: 4-(4-amylphenyl)-4-keto-butyric acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(N=CC=C2)Cl

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C22H25ClN2O4/c1-2-3-4-6-16-8-10-17(11-9-16)19(26)12-13-21(28)29-15-20(27)25-18-7-5-14-24-22(18)23/h5,7-11,14H,2-4,6,12-13,15H2,1H3,(H,25,27)