[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2,3-dimethyl-2,3-dihydrobenzofuran-7-carboxylate CAS Name: 2,3-dimethyl-2,3-dihydrobenzofuran-7-carboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate Traditional Name: 2,3-dimethylcoumaran-7-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C(C=CC=C12)C(=O)OC(C)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1C(OC2=C(C=CC=C12)C(=O)OC(C)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H27NO4/c1-13-14(2)24-18-16(13)9-8-10-17(18)20(23)25-15(3)19(22)21-11-6-4-5-7-12-21/h8-10,13-15H,4-7,11-12H2,1-3H3