[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H23NO6/c1-22(2,3)16-7-4-14(5-8-16)17(24)12-27-20(25)11-23-21(26)15-6-9-18-19(10-15)29-13-28-18/h4-10H,11-13H2,1-3H3,(H,23,26)