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

Systemtic Name: 3-[[3-(4-acetyloxyphenyl)-2-benzamido-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(4-acetoxyphenyl)-2-benzamido-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-(4-acetyloxyphenyl)-2-benzamido-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(4-acetyloxyphenyl)-2-benzamidoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(4-acetoxyphenyl)-2-benzamido-acryloyl]amino]benzoic acid Formula: C25H20N2O6 MolecularWeight: 444.4361

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC(=C2)C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC(=C2)C(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H20N2O6/c1-16(28)33-21-12-10-17(11-13-21)14-22(27-23(29)18-6-3-2-4-7-18)24(30)26-20-9-5-8-19(15-20)25(31)32/h2-15H,1H3,(H,26,30)(H,27,29)(H,31,32)