[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(6,7-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(6,7-dimethyl-3-benzofuranyl)acetic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6,7-dimethylbenzofuran-3-yl)acetic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H27NO4 MolecularWeight: 357.44338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)OC(C)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)O[C@H](C)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C21H27NO4/c1-14-8-9-18-17(13-25-20(18)15(14)2)12-19(23)26-16(3)21(24)22-10-6-4-5-7-11-22/h8-9,13,16H,4-7,10-12H2,1-3H3/t16-/m1/s1