5-[hexyl-[[4-(2-phenylethynyl)phenyl]methyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[hexyl-[[4-(2-phenylethynyl)phenyl]methyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[hexyl-[[4-(2-phenylethynyl)phenyl]methyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[hexyl-[[4-(2-phenylethynyl)phenyl]methyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[hexyl-[[4-(2-phenylethynyl)phenyl]methyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[hexyl-[4-(2-phenylethynyl)benzyl]amino]-2-hydroxy-benzoic acid Formula: C28H29NO3 MolecularWeight: 427.53476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CC1=CC=C(C=C1)C#CC2=CC=CC=C2)C3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CCCCCCN(CC1=CC=C(C=C1)C#CC2=CC=CC=C2)C3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C28H29NO3/c1-2-3-4-8-19-29(25-17-18-27(30)26(20-25)28(31)32)21-24-15-13-23(14-16-24)12-11-22-9-6-5-7-10-22/h5-7,9-10,13-18,20,30H,2-4,8,19,21H2,1H3,(H,31,32)