[(1S)-2-oxidanylidenecyclohexyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [(1S)-2-ketocyclohexyl] ester Formula: C16H17NO6 MolecularWeight: 319.30928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H17NO6/c18-11-3-1-2-4-12(11)23-15(19)8-17-16(20)10-5-6-13-14(7-10)22-9-21-13/h5-7,12H,1-4,8-9H2,(H,17,20)/t12-/m0/s1