4-[1-[[2-Chloro-5-[4-(2,4-Dipentylphenoxy)Butanoylamino]Phenyl]Carbamoyl]-3,3-Dimethyl-2-Oxo-Butoxy]Benzoic Acid
[CAS 56912-33-5]

Identification

• Name: 4-[1-[[2-Chloro-5-[4-(2,4-Dipentylphenoxy)Butanoylamino]Phenyl]Carbamoyl]-3,3-Dimethyl-2-Oxo-Butoxy]Benzoic Acid
• Synonyms: 4-[1-[[2-Chloro-5-[4-(2,4-Dipentylphenoxy)Butanoylamino]Phenyl]Carbamoyl]-3,3-Dimethyl-2-Oxo-Butoxy]Benzoic Acid; 4-[1-[[[2-Chloro-5-[[4-(2,4-Dipentylphenoxy)-1-Oxobutyl]Amino]Phenyl]Amino]-Oxomethyl]-3,3-Dimethyl-2-Oxobutoxy]Benzoic Acid; 4-[1-[[2-Chloro-5-[4-(2,4-Diamylphenoxy)Butanoylamino]Phenyl]Carbamoyl]-2-Keto-3,3-Dimethyl-Butoxy]Benzoic Acid
• Molecular Formula: C₄₀H₅₁ClN₂O₇
• Molecular Weight: 707.31
• CAS Registry Number: 56912-33-5
• SMILES: C1=CC(=CC(=C1Cl)NC(=O)C(OC2=CC=C(C=C2)C(=O)O)C(=O)C(C)(C)C)NC(=O)CCCOC3=C(C=C(C=C3)CCCCC)CCCCC
• InChI: 1S/C40H51ClN2O7/c1-6-8-10-13-27-16-23-34(29(25-27)14-11-9-7-2)49-24-12-15-35(44)42-30-19-22-32(41)33(26-30)43-38(46)36(37(45)40(3,4)5)50-31-20-17-28(18-21-31)39(47)48/h16-23,25-26,36H,6-15,24H2,1-5H3,(H,42,44)(H,43,46)(H,47,48)
• InChIKey: DVHHNFRIVCLAGN-UHFFFAOYSA-N

Properties

• Density: 1.189g/cm³ (Cal.)
• Boiling point: 863.83°C at 760 mmHg (Cal.)
• Flash point: 476.227°C (Cal.)