4-[[(E)-2-benzamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-2-benzamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-benzamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-benzamido-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-benzamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-benzamido-3-(3,4-dimethoxyphenyl)acryloyl]amino]benzoic acid Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C(=O)NC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C(=O)NC2=CC=C(C=C2)C(=O)O)/NC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C25H22N2O6/c1-32-21-13-8-16(15-22(21)33-2)14-20(27-23(28)17-6-4-3-5-7-17)24(29)26-19-11-9-18(10-12-19)25(30)31/h3-15H,1-2H3,(H,26,29)(H,27,28)(H,30,31)/b20-14+