N-[(R)-3,4-Dihydro-8-Hydroxy-3alpha-Methyl-1-Oxo-1H-2-Benzopyran-7-Yl]Carbonyl-L-Phenylalanine Ethyl Ester
[CAS# 18420-71-8]

Identification

• Name: N-[(R)-3,4-Dihydro-8-Hydroxy-3alpha-Methyl-1-Oxo-1H-2-Benzopyran-7-Yl]Carbonyl-L-Phenylalanine Ethyl Ester
• Synonyms: Ethyl 2-[(8-Hydroxy-3-Methyl-1-Oxo-Isochroman-7-Carbonyl)Amino]-3-Phenyl-Propanoate; 2-[[(8-Hydroxy-3-Methyl-1-Oxo-7-Isochromanyl)-Oxomethyl]Amino]-3-Phenylpropanoic Acid Ethyl Ester; 2-[(8-Hydroxy-1-Keto-3-Methyl-Isochroman-7-Carbonyl)Amino]-3-Phenyl-Propionic Acid Ethyl Ester
• Molecular Formula: C₂₂H₂₃NO₆
• Molecular Weight: 397.43
• CAS Registry Number: 18420-71-8
• SMILES: C2=CC1=C(C(OC(C)C1)=O)C(=C2C(NC(C(=O)OCC)CC3=CC=CC=C3)=O)O
• InChI: 1S/C22H23NO6/c1-3-28-21(26)17(12-14-7-5-4-6-8-14)23-20(25)16-10-9-15-11-13(2)29-22(27)18(15)19(16)24/h4-10,13,17,24H,3,11-12H2,1-2H3,(H,23,25)
• InChIKey: XXAVUHHKDMGGBR-UHFFFAOYSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 609.749°C at 760 mmHg (Cal.)
• Flash point: 322.565°C (Cal.)