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

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 4-(4-tert-butylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 4-(4-tert-butylphenyl)-4-oxo-butanoate CAS Name: 4-(4-tert-butylphenyl)-4-oxobutanoic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate Traditional Name: 4-(4-tert-butylphenyl)-4-keto-butyric acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4/c1-21(2,3)15-8-6-14(7-9-15)17(25)10-11-19(27)28-13-18(26)24-16-5-4-12-23-20(16)22/h4-9,12H,10-11,13H2,1-3H3,(H,24,26)