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

Systemtic Name: 3-[[4-(1-phenoxyhexyl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-(1-phenoxyhexyl)benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[4-(1-phenoxyhexyl)phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[4-(1-phenoxyhexyl)benzoyl]amino]propanoic acid Traditional Name: 3-[[4-(1-phenoxyhexyl)benzoyl]amino]propionic acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)OC2=CC=CC=C2

InChI

InChI=1S/C22H27NO4/c1-2-3-5-10-20(27-19-8-6-4-7-9-19)17-11-13-18(14-12-17)22(26)23-16-15-21(24)25/h4,6-9,11-14,20H,2-3,5,10,15-16H2,1H3,(H,23,26)(H,24,25)