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

Systemtic Name: 4-[2-[[(E)-3-(3-pentylphenyl)but-2-enoyl]amino]phenoxy]butanoic acid Openeye Name: 4-[2-[[(E)-3-(3-pentylphenyl)but-2-enoyl]amino]phenoxy]butanoic acid CAS Name: 4-[2-[[(E)-1-oxo-3-(3-pentylphenyl)but-2-enyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-[[(E)-3-(3-pentylphenyl)but-2-enoyl]amino]phenoxy]butanoic acid Traditional Name: 4-[2-[[(E)-3-(3-amylphenyl)but-2-enoyl]amino]phenoxy]butyric acid Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC(=C1)C(=CC(=O)NC2=CC=CC=C2OCCCC(=O)O)C

Isomeric SMILES

CCCCCC1=CC=CC(=C1)/C(=C/C(=O)NC2=CC=CC=C2OCCCC(=O)O)/C

InChI

InChI=1S/C25H31NO4/c1-3-4-5-10-20-11-8-12-21(18-20)19(2)17-24(27)26-22-13-6-7-14-23(22)30-16-9-15-25(28)29/h6-8,11-14,17-18H,3-5,9-10,15-16H2,1-2H3,(H,26,27)(H,28,29)/b19-17+