4-[2-[[(E)-3-(4-phenoxyphenyl)but-2-enoyl]amino]phenoxy]butanoic acid

Systemtic Name: 4-[2-[[(E)-3-(4-phenoxyphenyl)but-2-enoyl]amino]phenoxy]butanoic acid Openeye Name: 4-[2-[[(E)-3-(4-phenoxyphenyl)but-2-enoyl]amino]phenoxy]butanoic acid CAS Name: 4-[2-[[(E)-1-oxo-3-(4-phenoxyphenyl)but-2-enyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-[[(E)-3-(4-phenoxyphenyl)but-2-enoyl]amino]phenoxy]butanoic acid Traditional Name: 4-[2-[[(E)-3-(4-phenoxyphenyl)but-2-enoyl]amino]phenoxy]butyric acid Formula: C26H25NO5 MolecularWeight: 431.4804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=CC=C1OCCCC(=O)O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C/C(=C\C(=O)NC1=CC=CC=C1OCCCC(=O)O)/C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C26H25NO5/c1-19(20-13-15-22(16-14-20)32-21-8-3-2-4-9-21)18-25(28)27-23-10-5-6-11-24(23)31-17-7-12-26(29)30/h2-6,8-11,13-16,18H,7,12,17H2,1H3,(H,27,28)(H,29,30)/b19-18+