(6-chloranylpyridin-3-yl)methyl 1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]cyclopentane-1-carboxylate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]cyclopentane-1-carboxylate Openeye Name: (6-chloro-3-pyridyl)methyl 1-[2-(tert-butylamino)-2-oxo-ethyl]cyclopentanecarboxylate CAS Name: 1-[2-(tert-butylamino)-2-oxoethyl]-1-cyclopentanecarboxylic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate Traditional Name: 1-[2-(tert-butylamino)-2-keto-ethyl]cyclopentanecarboxylic acid (6-chloro-3-pyridyl)methyl ester Formula: C18H25ClN2O3 MolecularWeight: 352.8557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CC1(CCCC1)C(=O)OCC2=CN=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)CC1(CCCC1)C(=O)OCC2=CN=C(C=C2)Cl

InChI

InChI=1S/C18H25ClN2O3/c1-17(2,3)21-15(22)10-18(8-4-5-9-18)16(23)24-12-13-6-7-14(19)20-11-13/h6-7,11H,4-5,8-10,12H2,1-3H3,(H,21,22)