1-[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)acryloyl]proline Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H20N2O6/c25-20(15-5-2-1-3-6-15)23-16(21(26)24-10-4-7-17(24)22(27)28)11-14-8-9-18-19(12-14)30-13-29-18/h1-3,5-6,8-9,11-12,17H,4,7,10,13H2,(H,23,25)(H,27,28)/b16-11+