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

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 2-(5,6-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(5,6-dimethyl-3-benzofuranyl)acetic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)acetic acid [2-(cyclohexylmethylamino)-2-keto-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)OCC(=O)NCC3CCCCC3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OCC(=O)NCC3CCCCC3)C

InChI

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