[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=C(C3=CC=CC=C3O2)COC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=C(C3=CC=CC=C3O2)COC

InChI

InChI=1S/C20H25NO5/c1-14(19(22)21-11-7-3-4-8-12-21)25-20(23)18-16(13-24-2)15-9-5-6-10-17(15)26-18/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3