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

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 4-(4-tert-butylphenoxy)butanoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 4-(4-tert-butylphenoxy)butanoate CAS Name: 4-(4-tert-butylphenoxy)butanoic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 4-(4-tert-butylphenoxy)butanoate Traditional Name: 4-(4-tert-butylphenoxy)butyric acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4/c1-21(2,3)15-8-10-16(11-9-15)27-13-5-7-19(26)28-14-18(25)24-17-6-4-12-23-20(17)22/h4,6,8-12H,5,7,13-14H2,1-3H3,(H,24,25)