4-[[(E)-3-(4-acetyloxyphenyl)-2-benzamido-prop-2-enoyl]amino]butanoic acid

Systemtic Name: 4-[[(E)-3-(4-acetyloxyphenyl)-2-benzamido-prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[(E)-3-(4-acetoxyphenyl)-2-benzamido-prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[(E)-3-(4-acetyloxyphenyl)-2-benzamido-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[(E)-3-(4-acetyloxyphenyl)-2-benzamidoprop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[(E)-3-(4-acetoxyphenyl)-2-benzamido-acryloyl]amino]butyric acid Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6/c1-15(25)30-18-11-9-16(10-12-18)14-19(22(29)23-13-5-8-20(26)27)24-21(28)17-6-3-2-4-7-17/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,23,29)(H,24,28)(H,26,27)/b19-14+