(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-phenylacryloyl]amino]propionic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCNC(=O)C=CC3=CC=CC=C3)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCNC(=O)/C=C/C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H20ClNO5/c22-18-10-16-12-26-14-28-21(16)17(11-18)13-27-20(25)8-9-23-19(24)7-6-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12-14H2,(H,23,24)/b7-6+