[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] cyclohexanecarboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] cyclohexanecarboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21NO5 MolecularWeight: 319.35234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3CCCCC3

InChI

InChI=1S/C17H21NO5/c1-11(23-17(20)12-5-3-2-4-6-12)16(19)18-13-7-8-14-15(9-13)22-10-21-14/h7-9,11-12H,2-6,10H2,1H3,(H,18,19)