[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)OC(C)C(=O)NC3CCCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)OC(C)C(=O)NC3CCCCCC3

InChI

InChI=1S/C21H27NO4/c1-14-9-10-18-16(13-25-19(18)11-14)12-20(23)26-15(2)21(24)22-17-7-5-3-4-6-8-17/h9-11,13,15,17H,3-8,12H2,1-2H3,(H,22,24)