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3-[3-[4-(6-phenylhexyl)phenyl]propanoylamino]benzoic acid

3-[3-[4-(6-phenylhexyl)phenyl]propanoylamino]benzoic acid

Systemtic Name:3-[3-[4-(6-phenylhexyl)phenyl]propanoylamino]benzoic acid
Openeye Name:3-[3-[4-(6-phenylhexyl)phenyl]propanoylamino]benzoic acid
CAS Name:3-[[1-oxo-3-[4-(6-phenylhexyl)phenyl]propyl]amino]benzoic acid
IUPAC Name:3-[3-[4-(6-phenylhexyl)phenyl]propanoylamino]benzoic acid
Traditional Name:3-[3-[4-(6-phenylhexyl)phenyl]propanoylamino]benzoic acid
Formula: C28H31NO3
MolecularWeight: 429.55064
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCC2=CC=C(C=C2)CCC(=O)NC3=CC=CC(=C3)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CCCCCCC2=CC=C(C=C2)CCC(=O)NC3=CC=CC(=C3)C(=O)O


InChI

InChI=1S/C28H31NO3/c30-27(29-26-14-8-13-25(21-26)28(31)32)20-19-24-17-15-23(16-18-24)12-5-2-1-4-9-22-10-6-3-7-11-22/h3,6-8,10-11,13-18,21H,1-2,4-5,9,12,19-20H2,(H,29,30)(H,31,32)


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