(2S)-1-[(E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-enoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[(E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-enoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[(E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-enoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[(E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-enoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)acryloyl]pyrrolidine-2-carboxylate Formula: C17H18NO7- MolecularWeight: 348.32732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C(=C1)C=CC(=O)N3CCCC3C(=O)[O-])OC)OCO2

Isomeric SMILES

COC1=C2C(=C(C(=C1)/C=C/C(=O)N3CCC[C@H]3C(=O)[O-])OC)OCO2

InChI

InChI=1S/C17H19NO7/c1-22-12-8-10(14(23-2)16-15(12)24-9-25-16)5-6-13(19)18-7-3-4-11(18)17(20)21/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,20,21)/p-1/b6-5+/t11-/m0/s1