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157097-10-4 | Cyclopentanecarboxylic acid, 1-(4-nitrophenyl)-, 2-(4-phenyl-1-piperidinyl)ethyl ester, hydrochloride (1:1)
CAS No: 157097-10-4 Catalog No: AG001P79 MDL No:
Product Description
Catalog Number:
AG001P79
Chemical Name:
Cyclopentanecarboxylic acid, 1-(4-nitrophenyl)-, 2-(4-phenyl-1-piperidinyl)ethyl ester, hydrochloride (1:1)
CAS Number:
157097-10-4
Molecular Formula:
C25H31ClN2O4
Molecular Weight:
458.9776
IUPAC Name:
2-(4-phenylpiperidin-1-yl)ethyl 1-(4-nitrophenyl)cyclopentane-1-carboxylate;hydrochloride
InChI:
InChI=1S/C25H30N2O4.ClH/c28-24(25(14-4-5-15-25)22-8-10-23(11-9-22)27(29)30)31-19-18-26-16-12-21(13-17-26)20-6-2-1-3-7-20;/h1-3,6-11,21H,4-5,12-19H2;1H
InChI Key:
RQQAHFSSIAWEPI-UHFFFAOYSA-N
SMILES:
O=C(C1(CCCC1)c1ccc(cc1)[N+](=O)[O-])OCCN1CCC(CC1)c1ccccc1.Cl
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.197g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
458.983g/mol
Monoisotopic Mass:
458.197g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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