[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C18H25ClN2O3 MolecularWeight: 352.8557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)NC2=NC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)NC2=NC=C(C=C2)Cl

InChI

InChI=1S/C18H25ClN2O3/c1-18(2,3)13-6-4-12(5-7-13)17(23)24-11-16(22)21-15-9-8-14(19)10-20-15/h8-10,12-13H,4-7,11H2,1-3H3,(H,20,21,22)