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77167-87-4 | Quinoline, 4-(3-(3-ethyl-4-piperidinyl)propyl)-6-methoxy-, (3S-trans)- , (E)-2-butenedioate (1
CAS No: 77167-87-4 Catalog No: AG00GGN0 MDL No:
Product Description
Catalog Number:
AG00GGN0
Chemical Name:
Quinoline, 4-(3-(3-ethyl-4-piperidinyl)propyl)-6-methoxy-, (3S-trans)- , (E)-2-butenedioate (1
CAS Number:
77167-87-4
IUPAC Name:
(E)-but-2-enedioic acid;4-[3-[(3S,4R)-3-ethylpiperidin-4-yl]propyl]-6-methoxyquinoline
InChI:
InChI=1S/C20H28N2O.C4H4O4/c1-3-15-14-21-11-9-16(15)5-4-6-17-10-12-22-20-8-7-18(23-2)13-19(17)20;5-3(6)1-2-4(7)8/h7-8,10,12-13,15-16,21H,3-6,9,11,14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t15-,16-;/m1./s1
InChI Key:
HXZGWRQXGURYDA-GVNJZHQWSA-N
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
428.231g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
428.529g/mol
Monoisotopic Mass:
428.231g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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