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Home > Indoles and Oxindole > 1379604-65-5
1379604-65-5 | 5-(3-(2-(2-methoxyphenyl)acetyl)-1H-indol-1-yl)pentanoicacid
CAS No: 1379604-65-5 Catalog No: AG01EOX4 MDL No:
Product Description
Catalog Number:
AG01EOX4
Chemical Name:
5-(3-(2-(2-methoxyphenyl)acetyl)-1H-indol-1-yl)pentanoicacid
CAS Number:
1379604-65-5
Molecular Formula:
C22H23NO4
Molecular Weight:
365.4223
IUPAC Name:
5-[3-[2-(2-methoxyphenyl)acetyl]indol-1-yl]pentanoic acid
InChI:
InChI=1S/C22H23NO4/c1-27-21-11-5-2-8-16(21)14-20(24)18-15-23(13-7-6-12-22(25)26)19-10-4-3-9-17(18)19/h2-5,8-11,15H,6-7,12-14H2,1H3,(H,25,26)
InChI Key:
ZJUJIZZOEBFIKY-UHFFFAOYSA-N
SMILES:
COc1ccccc1CC(=O)c1cn(c2c1cccc2)CCCCC(=O)O
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.163g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.429g/mol
Monoisotopic Mass:
365.163g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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