Free Chemical Databases
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[Synonyms]
Varespladib
Varespladib [INN]
LY315920
Acetic acid, ((3-(aminooxoacetyl)-2-ethyl-1-(phenylmethyl)-1H-indol-4-yl)oxy)-,
172732-68-2
172733-42-5
[Structure]
[ Properties Computed from Structure]
Molecular Weight 380.3939 [g/mol] Molecular Formula C21H20N2O5 XLogP 2.4 H-Bond Donor 2 H-Bond Acceptor 6 Rotatable Bond Count 8 Tautomer Count 2 Exact Mass 380.137222 MonoIsotopic Mass 380.137222 Topological Polar Surface Area 112 Heavy Atom Count 28 Formal Charge 0 Complexity 589 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: 2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyacetic acid
Canonical SMILES: CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)C(=O)C(=O)N
InChI: InChI=1/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17
(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,
25)/f/h24H,22H2
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