2-[[2-[2-(4-pentylphenyl)propanoylamino]phenyl]methyl]benzoic acid

Systemtic Name: 2-[[2-[2-(4-pentylphenyl)propanoylamino]phenyl]methyl]benzoic acid Openeye Name: 2-[[2-[2-(4-pentylphenyl)propanoylamino]phenyl]methyl]benzoic acid CAS Name: 2-[[2-[[1-oxo-2-(4-pentylphenyl)propyl]amino]phenyl]methyl]benzoic acid IUPAC Name: 2-[[2-[2-(4-pentylphenyl)propanoylamino]phenyl]methyl]benzoic acid Traditional Name: 2-[2-[2-(4-amylphenyl)propanoylamino]benzyl]benzoic acid Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(C)C(=O)NC2=CC=CC=C2CC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(C)C(=O)NC2=CC=CC=C2CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C28H31NO3/c1-3-4-5-10-21-15-17-22(18-16-21)20(2)27(30)29-26-14-9-7-12-24(26)19-23-11-6-8-13-25(23)28(31)32/h6-9,11-18,20H,3-5,10,19H2,1-2H3,(H,29,30)(H,31,32)