3-[[(Z)-3-(4-acetyloxyphenyl)-2-benzamido-prop-2-enoyl]amino]propanoic acid

Systemtic Name: 3-[[(Z)-3-(4-acetyloxyphenyl)-2-benzamido-prop-2-enoyl]amino]propanoic acid Openeye Name: 3-[[(Z)-3-(4-acetoxyphenyl)-2-benzamido-prop-2-enoyl]amino]propanoic acid CAS Name: 3-[[(Z)-3-(4-acetyloxyphenyl)-2-benzamido-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: 3-[[(Z)-3-(4-acetyloxyphenyl)-2-benzamidoprop-2-enoyl]amino]propanoic acid Traditional Name: 3-[[(Z)-3-(4-acetoxyphenyl)-2-benzamido-acryloyl]amino]propionic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C=C(C(=O)NCCC(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)/C=C(/C(=O)NCCC(=O)O)\NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H20N2O6/c1-14(24)29-17-9-7-15(8-10-17)13-18(21(28)22-12-11-19(25)26)23-20(27)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,22,28)(H,23,27)(H,25,26)/b18-13-