(Z)-3-[3-[2-(Methyl-(2-Phenylethyl)Amino)-2-Oxoethyl]-5-(Phenylmethoxy)Phenyl]But-2-Enoic Acid
[CAS# 181268-76-8]

Identification

• Name: (Z)-3-[3-[2-(Methyl-(2-Phenylethyl)Amino)-2-Oxoethyl]-5-(Phenylmethoxy)Phenyl]But-2-Enoic Acid
• Synonyms: (Z)-3-[3-[2-(Methyl-(2-Phenylethyl)Amino)-2-Oxo-Ethyl]-5-(Phenylmethoxy)Phenyl]But-2-Enoic Acid; (Z)-3-[3-(Benzyloxy)-5-[2-Keto-2-(Methyl-(2-Phenylethyl)Amino)Ethyl]Phenyl]But-2-Enoic Acid; 2-Butenoic Acid, 3-(3-(2-(Methyl(2-Phenylethyl)Amino)-2-Oxoethyl)-5-(Phenylmethoxy)Phenyl)-, (Z)-
• Molecular Formula: C₂₈H₂₉NO₄
• Molecular Weight: 443.54
• CAS Registry Number: 181268-76-8
• SMILES: C1=C(C=C(C=C1C(=C/C(=O)O)\C)OCC2=CC=CC=C2)CC(=O)N(CCC3=CC=CC=C3)C
• InChI: 1S/C28H29NO4/c1-21(15-28(31)32)25-16-24(17-26(19-25)33-20-23-11-7-4-8-12-23)18-27(30)29(2)14-13-22-9-5-3-6-10-22/h3-12,15-17,19H,13-14,18,20H2,1-2H3,(H,31,32)/b21-15-
• InChIKey: OZIZIDNVWOMCNY-QNGOZBTKSA-N

Properties

• Density: 1.176g/cm³ (Cal.)
• Boiling point: 649.587°C at 760 mmHg (Cal.)
• Flash point: 346.658°C (Cal.)