[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)OCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)OCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O6/c24-19(22-10-4-7-15-5-2-1-3-6-15)13-27-20(25)12-23-21(26)16-8-9-17-18(11-16)29-14-28-17/h1-3,5-6,8-9,11H,4,7,10,12-14H2,(H,22,24)(H,23,26)