(5-chloranyl-2-methoxy-phenyl)methyl 1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]cyclopentane-1-carboxylate

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl 1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]cyclopentane-1-carboxylate Openeye Name: (5-chloro-2-methoxy-phenyl)methyl 1-[2-(tert-butylamino)-2-oxo-ethyl]cyclopentanecarboxylate CAS Name: 1-[2-(tert-butylamino)-2-oxoethyl]-1-cyclopentanecarboxylic acid (5-chloro-2-methoxyphenyl)methyl ester IUPAC Name: (5-chloro-2-methoxyphenyl)methyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate Traditional Name: 1-[2-(tert-butylamino)-2-keto-ethyl]cyclopentanecarboxylic acid (5-chloro-2-methoxy-benzyl) ester Formula: C20H28ClNO4 MolecularWeight: 381.89362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClNO4/c1-19(2,3)22-17(23)12-20(9-5-6-10-20)18(24)26-13-14-11-15(21)7-8-16(14)25-4/h7-8,11H,5-6,9-10,12-13H2,1-4H3,(H,22,23)