4-[1-[[[2-Chloro-5-[[4-(2,4-dipentylphenoxy)-1-oxobutyl]amino]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid
CAS Registry Number®
56912-33-5
CAS Name
4-[1-[[[2-Chloro-5-[[4-(2,4-dipentylphenoxy)-1-oxobutyl]amino]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acidMolecular Formula
C40H51ClN2O7Molecular Mass
707.30Cite this Page
4-[1-[[[2-Chloro-5-[[4-(2,4-dipentylphenoxy)-1-oxobutyl]amino]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=56912-33-5 (retrieved ) (CAS RN: 56912-33-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
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
InChIKey=DVHHNFRIVCLAGN-UHFFFAOYSA-N
SMILES
O(CCCC(NC1=CC(NC(C(OC2=CC=C(C(O)=O)C=C2)C(C(C)(C)C)=O)=O)=C(Cl)C=C1)=O)C3=C(CCCCC)C=C(CCCCC)C=C3
Canonical SMILES
O=C(O)C1=CC=C(OC(C(=O)NC2=CC(=CC=C2Cl)NC(=O)CCCOC3=CC=C(C=C3CCCCC)CCCCC)C(=O)C(C)(C)C)C=C1
Other Names for this Substance
- Benzoic acid, 4-[1-[[[2-chloro-5-[[4-(2,4-dipentylphenoxy)-1-oxobutyl]amino]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-
- 4-[1-[[[2-Chloro-5-[[4-(2,4-dipentylphenoxy)-1-oxobutyl]amino]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid
