[2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(3R)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-[(3R)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-[(3R)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C16H17ClN2O6 MolecularWeight: 368.76898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3)C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3)C(=O)N

InChI

InChI=1S/C16H17ClN2O6/c17-11-4-10(5-12-14(11)25-8-24-12)16(22)23-7-13(20)19-3-1-2-9(6-19)15(18)21/h4-5,9H,1-3,6-8H2,(H2,18,21)/t9-/m1/s1