4-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-hexanoyl-amino]benzoic acid

Systemtic Name: 4-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-hexanoyl-amino]benzoic acid Openeye Name: 4-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-hexanoyl-amino]benzoic acid CAS Name: 4-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-(1-oxohexyl)amino]benzoic acid IUPAC Name: 4-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-hexanoylamino]benzoic acid Traditional Name: 4-[[4-[2-(4-butylphenyl)ethynyl]benzyl]-caproyl-amino]benzoic acid Formula: C32H35NO3 MolecularWeight: 481.6252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)CCCC)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCC(=O)N(CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)CCCC)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C32H35NO3/c1-3-5-7-9-31(34)33(30-22-20-29(21-23-30)32(35)36)24-28-18-16-27(17-19-28)15-14-26-12-10-25(11-13-26)8-6-4-2/h10-13,16-23H,3-9,24H2,1-2H3,(H,35,36)