[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3,4,5-triacetyloxybenzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3,4,5-triacetyloxybenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3,4,5-triacetoxybenzoate CAS Name: 3,4,5-triacetyloxybenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3,4,5-triacetyloxybenzoate Traditional Name: 3,4,5-triacetoxybenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C21H25NO9 MolecularWeight: 435.4245

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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)N2CCCCCC2

Isomeric SMILES

CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C21H25NO9/c1-13(23)29-17-10-16(11-18(30-14(2)24)20(17)31-15(3)25)21(27)28-12-19(26)22-8-6-4-5-7-9-22/h10-11H,4-9,12H2,1-3H3