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

Systemtic Name: 4-[2-[[(E)-3-(4-phenethylphenyl)but-2-enoyl]amino]phenoxy]butanoic acid Openeye Name: 4-[2-[[(E)-3-(4-phenethylphenyl)but-2-enoyl]amino]phenoxy]butanoic acid CAS Name: 4-[2-[[(E)-1-oxo-3-(4-phenethylphenyl)but-2-enyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-[[(E)-3-(4-phenethylphenyl)but-2-enoyl]amino]phenoxy]butanoic acid Traditional Name: 4-[2-[[(E)-3-(4-phenethylphenyl)but-2-enoyl]amino]phenoxy]butyric acid Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=CC=C1OCCCC(=O)O)C2=CC=C(C=C2)CCC3=CC=CC=C3

Isomeric SMILES

C/C(=C\C(=O)NC1=CC=CC=C1OCCCC(=O)O)/C2=CC=C(C=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C28H29NO4/c1-21(24-17-15-23(16-18-24)14-13-22-8-3-2-4-9-22)20-27(30)29-25-10-5-6-11-26(25)33-19-7-12-28(31)32/h2-6,8-11,15-18,20H,7,12-14,19H2,1H3,(H,29,30)(H,31,32)/b21-20+