[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(5,6-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(5,6-dimethyl-3-benzofuranyl)acetic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)acetic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OC(C)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OC(C)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C21H27NO4/c1-14-10-18-17(13-25-19(18)11-15(14)2)12-20(23)26-16(3)21(24)22-8-6-4-5-7-9-22/h10-11,13,16H,4-9,12H2,1-3H3