Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 292.28724 [g/mol] Molecular Formula C14H16N2O5 XLogP 1 H-Bond Donor 1 H-Bond Acceptor 7 Rotatable Bond Count 7 Tautomer Count 2 Exact Mass 292.105922 MonoIsotopic Mass 292.105922 Topological Polar Surface Area 82.7 Heavy Atom Count 21 Formal Charge 0 Complexity 327 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3H-imidazol-4-ylmethyl 3,4,5-trimethoxybenzoate
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=CN=CN2
InChI: InChI=1/C14H16N2O5/c1-18-11-4-9(5-12(19-2)13(11)20-3)14(17)21-7-10-6-15-
8-16-10/h4-6,8H,7H2,1-3H3,(H,15,16)/f/h16H
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