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148580-88-5

148580-88-5 | 1H-Indole-1-butanoic acid, 2-methyl-3-[4-[(1S)-1-[4-(2-methylpropyl)phenyl]ethoxy]benzoyl]-

CAS No: 148580-88-5 Catalog No: AG001L12 MDL No:

Product Description

Catalog Number:
AG001L12
Chemical Name:
1H-Indole-1-butanoic acid, 2-methyl-3-[4-[(1S)-1-[4-(2-methylpropyl)phenyl]ethoxy]benzoyl]-
CAS Number:
148580-88-5
Molecular Formula:
C32H35NO4
Molecular Weight:
497.6246
IUPAC Name:
4-[2-methyl-3-[4-[1-[4-(2-methylpropyl)phenyl]ethoxy]benzoyl]indol-1-yl]butanoic acid
InChI:
InChI=1S/C32H35NO4/c1-21(2)20-24-11-13-25(14-12-24)23(4)37-27-17-15-26(16-18-27)32(36)31-22(3)33(19-7-10-30(34)35)29-9-6-5-8-28(29)31/h5-6,8-9,11-18,21,23H,7,10,19-20H2,1-4H3,(H,34,35)
InChI Key:
KJTYMMVOVWIXHY-UHFFFAOYSA-N
SMILES:
OC(=O)CCCn1c(C)c(c2c1cccc2)C(=O)c1ccc(cc1)O[C@H](c1ccc(cc1)CC(C)C)C

Properties

Complexity:
737  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
497.257g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
497.635g/mol
Monoisotopic Mass:
497.257g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
7  

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