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

Systemtic Name: 4-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-hexanoyl-amino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-hexanoyl-amino]-2-hydroxy-benzoic acid CAS Name: 4-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-(1-oxohexyl)amino]-2-hydroxybenzoic acid IUPAC Name: 4-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-hexanoylamino]-2-hydroxybenzoic acid Traditional Name: 4-[[4-[2-(4-butylphenyl)ethynyl]benzyl]-caproyl-amino]-2-hydroxy-benzoic acid Formula: C32H35NO4 MolecularWeight: 497.6246

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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)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)O

InChI

InChI=1S/C32H35NO4/c1-3-5-7-9-31(35)33(28-20-21-29(32(36)37)30(34)22-28)23-27-18-16-26(17-19-27)15-14-25-12-10-24(11-13-25)8-6-4-2/h10-13,16-22,34H,3-9,23H2,1-2H3,(H,36,37)