[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [(1R)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)OC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H21NO5/c1-11(16(19)18-13-5-3-2-4-6-13)23-17(20)12-7-8-14-15(9-12)22-10-21-14/h7-9,11,13H,2-6,10H2,1H3,(H,18,19)/t11-/m1/s1