3-Ethyl 5-(1-Carboxy-1-Phenylethoxy)-1-Isobutyl-2-Methyl-1H-Indole-3-Carboxylate
[CAS# 61793-29-1]

Identification

• Name: 3-Ethyl 5-(1-Carboxy-1-Phenylethoxy)-1-Isobutyl-2-Methyl-1H-Indole-3-Carboxylate
• Synonyms: 2-(3-Ethoxycarbonyl-1-Isobutyl-2-Methyl-Indol-5-Yl)Oxy-2-Phenyl-Propanoic Acid; 2-[(3-Ethoxycarbonyl-1-Isobutyl-2-Methyl-5-Indolyl)Oxy]-2-Phenylpropanoic Acid; 2-(3-Carbethoxy-1-Isobutyl-2-Methyl-Indol-5-Yl)Oxy-2-Phenyl-Propionic Acid
• Molecular Formula: C₂₅H₂₉NO₅
• Molecular Weight: 423.51
• CAS Registry Number: 61793-29-1
• EINECS: 263-229-7
• SMILES: C2=C(OC(C(=O)O)(C1=CC=CC=C1)C)C=CC3=C2C(=C([N]3CC(C)C)C)C(OCC)=O
• InChI: 1S/C25H29NO5/c1-6-30-23(27)22-17(4)26(15-16(2)3)21-13-12-19(14-20(21)22)31-25(5,24(28)29)18-10-8-7-9-11-18/h7-14,16H,6,15H2,1-5H3,(H,28,29)
• InChIKey: PXJDUYLPFXNLEB-UHFFFAOYSA-N

Properties

• Density: 1.158g/cm³ (Cal.)
• Boiling point: 572.215°C at 760 mmHg (Cal.)
• Flash point: 299.865°C (Cal.)