[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C18H25ClN2O3 MolecularWeight: 352.8557

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OCC(=O)NC2=C(N=CC=C2)Cl

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OCC(=O)NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C18H25ClN2O3/c1-2-3-5-13-7-9-14(10-8-13)18(23)24-12-16(22)21-15-6-4-11-20-17(15)19/h4,6,11,13-14H,2-3,5,7-10,12H2,1H3,(H,21,22)