3-[[4-[1-(4-pentylphenoxy)heptyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[1-(4-pentylphenoxy)heptyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[1-(4-pentylphenoxy)heptyl]benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[4-[1-(4-pentylphenoxy)heptyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[4-[1-(4-pentylphenoxy)heptyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[1-(4-amylphenoxy)heptyl]benzoyl]amino]propionic acid Formula: C28H39NO4 MolecularWeight: 453.61356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)OC2=CC=C(C=C2)CCCCC

Isomeric SMILES

CCCCCCC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)OC2=CC=C(C=C2)CCCCC

InChI

InChI=1S/C28H39NO4/c1-3-5-7-9-11-26(33-25-18-12-22(13-19-25)10-8-6-4-2)23-14-16-24(17-15-23)28(32)29-21-20-27(30)31/h12-19,26H,3-11,20-21H2,1-2H3,(H,29,32)(H,30,31)