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

Systemtic Name: 4-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-ethanoyl-amino]-2-oxidanyl-benzoic acid Openeye Name: 4-[acetyl-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl]amino]-2-hydroxy-benzoic acid CAS Name: 4-[acetyl-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[acetyl-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl]amino]-2-hydroxybenzoic acid Traditional Name: 4-[acetyl-[4-[2-(4-butylphenyl)ethynyl]benzyl]amino]-2-hydroxy-benzoic acid Formula: C28H27NO4 MolecularWeight: 441.51828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C(=O)O)O)C(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)CN(C3=CC(=C(C=C3)C(=O)O)O)C(=O)C

InChI

InChI=1S/C28H27NO4/c1-3-4-5-21-6-8-22(9-7-21)10-11-23-12-14-24(15-13-23)19-29(20(2)30)25-16-17-26(28(32)33)27(31)18-25/h6-9,12-18,31H,3-5,19H2,1-2H3,(H,32,33)