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157173-60-9 | Piperidine, 1-[2-[4-[3-(4-methoxyphenyl)-2H-1-benzopyran-2-yl]phenoxy]ethyl]-
CAS No: 157173-60-9 Catalog No: AG001P97 MDL No:
Product Description
Catalog Number:
AG001P97
Chemical Name:
Piperidine, 1-[2-[4-[3-(4-methoxyphenyl)-2H-1-benzopyran-2-yl]phenoxy]ethyl]-
CAS Number:
157173-60-9
Molecular Formula:
C29H31NO3
Molecular Weight:
441.5613
IUPAC Name:
1-[2-[4-[3-(4-methoxyphenyl)-2H-chromen-2-yl]phenoxy]ethyl]piperidine
InChI:
InChI=1S/C29H31NO3/c1-31-25-13-9-22(10-14-25)27-21-24-7-3-4-8-28(24)33-29(27)23-11-15-26(16-12-23)32-20-19-30-17-5-2-6-18-30/h3-4,7-16,21,29H,2,5-6,17-20H2,1H3
InChI Key:
CLSQFRZGLVXJHC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=Cc2ccccc2OC1c1ccc(cc1)OCCN1CCCCC1
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.23g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
441.571g/mol
Monoisotopic Mass:
441.23g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6
Literature
| Title | Journal |
|---|---|
| Anti-implantation effect of 2-[piperidinoethoxyphenyl]-3-[4-hydroxyphenyl]-2H-benzo(b)pyran, a potent antiestrogenic agent in rats. | Fertility and sterility 20110315 |
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