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Home > Indoles and Oxindole > 146447-26-9
146447-26-9 | 1H-Isoindole-1,3(2H)-dione, 2-[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-buten-1-yl]-, (2Z)-2-butenedioate (1:1)
CAS No: 146447-26-9 Catalog No: AG001E1S MDL No:MFCD08460174
Product Description
Catalog Number:
AG001E1S
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(2Z)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-buten-1-yl]-, (2Z)-2-butenedioate (1:1)
CAS Number:
146447-26-9
Molecular Formula:
C27H29N3O7
Molecular Weight:
507.5351
MDL Number:
MFCD08460174
IUPAC Name:
(Z)-but-2-enedioic acid;2-[(Z)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]isoindole-1,3-dione
InChI:
InChI=1S/C23H25N3O3.C4H4O4/c27-22-19-8-2-3-9-20(19)23(28)26(22)14-6-7-15-29-21-16-18(10-11-24-21)17-25-12-4-1-5-13-25;5-3(6)1-2-4(7)8/h2-3,6-11,16H,1,4-5,12-15,17H2;1-2H,(H,5,6)(H,7,8)/b7-6-;2-1-
InChI Key:
CKMFWYSSYXTDBF-LISDAYIUSA-N
SMILES:
O=C1N(C/C=C\COc2nccc(c2)CN2CCCCC2)C(=O)c2c1cccc2.OC(=O)/C=C\C(=O)O
EC Number:
604-527-2
Properties
Complexity:
697
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
507.201g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
507.543g/mol
Monoisotopic Mass:
507.201g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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