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

Systemtic Name: 5-[[4-[2-(4-chlorophenyl)ethynyl]phenyl]methyl-hexyl-amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[4-[2-(4-chlorophenyl)ethynyl]phenyl]methyl-hexyl-amino]-2-hydroxy-benzoic acid CAS Name: 5-[[4-[2-(4-chlorophenyl)ethynyl]phenyl]methyl-hexylamino]-2-hydroxybenzoic acid IUPAC Name: 5-[[4-[2-(4-chlorophenyl)ethynyl]phenyl]methyl-hexylamino]-2-hydroxybenzoic acid Traditional Name: 5-[[4-[2-(4-chlorophenyl)ethynyl]benzyl]-hexyl-amino]-2-hydroxy-benzoic acid Formula: C28H28ClNO3 MolecularWeight: 461.97982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28ClNO3/c1-2-3-4-5-18-30(25-16-17-27(31)26(19-25)28(32)33)20-23-10-8-21(9-11-23)6-7-22-12-14-24(29)15-13-22/h8-17,19,31H,2-5,18,20H2,1H3,(H,32,33)