Acetamido{[5-(benzyloxy)-1H-indol-3-yl]methyl}malonic acid
[CAS# 85391-99-7]

Identification

• Name: Acetamido{[5-(benzyloxy)-1H-indol-3-yl]methyl}malonic acid
• Synonyms: 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonic acid
• Molecular Formula: C₂₁H₂₀N₂O₆
• Molecular Weight: 396.39
• CAS Registry Number: 85391-99-7
• EINECS: 286-856-8
• SMILES: OC(=O)C(NC(C)=O)(Cc2cnc1ccc(cc12)OCc3ccccc3)C(O)=O
• InChI: 1S/C21H20N2O6/c1-13(24)23-21(19(25)26,20(27)28)10-15-11-22-18-8-7-16(9-17(15)18)29-12-14-5-3-2-4-6-14/h2-9,11,22H,10,12H2,1H3,(H,23,24)(H,25,26)(H,27,28)
• InChIKey: NVXJPXIZOAASQU-UHFFFAOYSA-N

Properties

• Density: 1.412g/cm³ (Cal.)
• Boiling point: 738.692°C at 760 mmHg (Cal.)
• Flash point: 400.546°C (Cal.)