[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] (E)-3-phenylprop-2-enoate

Systemtic Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] (E)-3-phenylprop-2-enoate Openeye Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxo-ethyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-keto-ethyl] ester Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)COC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)CNC(=O)COC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H19NO5/c22-19(14-25-20(23)11-10-15-6-2-1-3-7-15)21-12-16-13-24-17-8-4-5-9-18(17)26-16/h1-11,16H,12-14H2,(H,21,22)/b11-10+/t16-/m0/s1