1,3-benzodioxol-5-ylmethyl (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate CAS Name: (2S)-2-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]propanoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-(4-methoxyphenyl)acryloyl]amino]propionic acid piperonyl ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC2=C(C=C1)OCO2)NC(=O)C=CC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC2=C(C=C1)OCO2)NC(=O)/C=C/C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21NO6/c1-14(22-20(23)10-6-15-3-7-17(25-2)8-4-15)21(24)26-12-16-5-9-18-19(11-16)28-13-27-18/h3-11,14H,12-13H2,1-2H3,(H,22,23)/b10-6+/t14-/m0/s1