[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H21NO5/c1-11-2-5-13(6-3-11)18-16(19)9-21-17(20)12-4-7-14-15(8-12)23-10-22-14/h4,7-8,11,13H,2-3,5-6,9-10H2,1H3,(H,18,19)