3-[[2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid

Systemtic Name: 3-[[2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid Openeye Name: 3-[[2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid CAS Name: 3-[[2-benzamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: 3-[[2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoic acid Traditional Name: 3-[[2-benzamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]propionic acid Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCC(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCC(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O6/c23-18(24)8-9-21-20(26)15(22-19(25)14-4-2-1-3-5-14)10-13-6-7-16-17(11-13)28-12-27-16/h1-7,10-11H,8-9,12H2,(H,21,26)(H,22,25)(H,23,24)