(3,3-dimethyl-2-oxidanylidene-butyl) 2-(cyclopentylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(cyclopentylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(cyclopentanecarbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[cyclopentyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(cyclopentanecarbonylamino)-4,5-dimethoxy-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H29NO6 MolecularWeight: 391.45806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1NC(=O)C2CCCC2)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1NC(=O)C2CCCC2)OC)OC

InChI

InChI=1S/C21H29NO6/c1-21(2,3)18(23)12-28-20(25)14-10-16(26-4)17(27-5)11-15(14)22-19(24)13-8-6-7-9-13/h10-11,13H,6-9,12H2,1-5H3,(H,22,24)