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

Systemtic Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-keto-2-[(2S)-2-methylpiperidino]ethyl] ester Formula: C16H18ClNO5 MolecularWeight: 339.77082

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

C[C@H]1CCCCN1C(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C16H18ClNO5/c1-10-4-2-3-5-18(10)14(19)8-21-16(20)11-6-12(17)15-13(7-11)22-9-23-15/h6-7,10H,2-5,8-9H2,1H3/t10-/m0/s1