[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-phenylacryloyl]amino]propionic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CCNC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CCNC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O6/c24-19(9-6-15-4-2-1-3-5-15)22-11-10-21(26)27-13-20(25)23-16-7-8-17-18(12-16)29-14-28-17/h1-9,12H,10-11,13-14H2,(H,22,24)(H,23,25)/b9-6+