AC1NTWK7

methyl 4-[(E)-[1-[2-(dimethylamino)ethyl]-4,5-dioxo-2-(4-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Also Known As: NCGC00066312-02|methyl 4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-(4-prop-2-enyloxypheny l)(3-pyrrolin-3-yl)}carbonyl)-3,5-dimethylpyrrole-2-carboxylate|methyl 4-(2-(4-(allyloxy)phenyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate|methyl 4-[(E)-[1-(2-dimethylaminoethyl)-4,5-dioxo-2-(4-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate|methyl 4-[(Z)-[1-(2-dimethylaminoethyl)-4,5-dioxo-2-(4-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Molecular Formula	C26H31N3O6
Molecular Weight	481.22128 g/mol
LogP	2.96624
Topological Polar Surface Area	112.17 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	481.22128
Monoisotopic Mass	481.22128
Heavy Atoms	35
Complexity	1176.4392

Chemical Identifiers

CAS Number	623124-70-9
SMILES	CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)OCC=C)/O)C)C(=O)OC