[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate CAS Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate Traditional Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C25H25ClN2O4 MolecularWeight: 452.93

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OCC(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OCC(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C25H25ClN2O4/c1-25(2,3)19-8-11-21(12-9-19)31-15-17-4-6-18(7-5-17)24(30)32-16-23(29)28-22-13-10-20(26)14-27-22/h4-14H,15-16H2,1-3H3,(H,27,28,29)