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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H31NO6 MolecularWeight: 405.48464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1NC(=O)C2CCCCC2)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1NC(=O)C2CCCCC2)OC)OC

InChI

InChI=1S/C22H31NO6/c1-22(2,3)19(24)13-29-21(26)15-11-17(27-4)18(28-5)12-16(15)23-20(25)14-9-7-6-8-10-14/h11-12,14H,6-10,13H2,1-5H3,(H,23,25)