[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3,4,5-triacetyloxybenzoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3,4,5-triacetyloxybenzoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 3,4,5-triacetoxybenzoate CAS Name: 3,4,5-triacetyloxybenzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 3,4,5-triacetyloxybenzoate Traditional Name: 3,4,5-triacetoxybenzoic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C22H27NO9 MolecularWeight: 449.45108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)OCC(=O)NCC2CCCCC2

Isomeric SMILES

CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)OCC(=O)NCC2CCCCC2

InChI

InChI=1S/C22H27NO9/c1-13(24)30-18-9-17(10-19(31-14(2)25)21(18)32-15(3)26)22(28)29-12-20(27)23-11-16-7-5-4-6-8-16/h9-10,16H,4-8,11-12H2,1-3H3,(H,23,27)