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

Systemtic Name: 4-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-cyclohexylcarbonyl-amino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-(cyclohexanecarbonyl)amino]-2-hydroxy-benzoic acid CAS Name: 4-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-[cyclohexyl(oxo)methyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-(cyclohexanecarbonyl)amino]-2-hydroxybenzoic acid Traditional Name: 4-[[4-[2-(4-butylphenyl)ethynyl]benzyl]-(cyclohexanecarbonyl)amino]-2-hydroxy-benzoic acid Formula: C33H35NO4 MolecularWeight: 509.6353

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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)C4CCCCC4

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)C4CCCCC4

InChI

InChI=1S/C33H35NO4/c1-2-3-7-24-10-12-25(13-11-24)14-15-26-16-18-27(19-17-26)23-34(32(36)28-8-5-4-6-9-28)29-20-21-30(33(37)38)31(35)22-29/h10-13,16-22,28,35H,2-9,23H2,1H3,(H,37,38)