[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H21NO5/c19-16(18-9-12-4-2-1-3-5-12)10-21-17(20)13-6-7-14-15(8-13)23-11-22-14/h6-8,12H,1-5,9-11H2,(H,18,19)