3-(3,4-Dimethoxy-Benzoylamino)-3-(4-Fluoro-Phenyl)-Propionic Acid
[CAS# 332052-63-8]

Identification

• Name: 3-(3,4-Dimethoxy-Benzoylamino)-3-(4-Fluoro-Phenyl)-Propionic Acid
• Synonyms: (3S)-3-[[(3,4-Dimethoxyphenyl)-Oxomethyl]Amino]-3-(4-Fluorophenyl)Propanoate; (3S)-3-[(3,4-Dimethoxybenzoyl)Amino]-3-(4-Fluorophenyl)Propionate; (3S)-3-[(3,4-Dimethoxyphenyl)Carbonylamino]-3-(4-Fluorophenyl)Propanoate
• Molecular Formula: C₁₈H₁₇FNO₅
• Molecular Weight: 346.33
• CAS Registry Number: 332052-63-8
• SMILES: [C@@H](NC(=O)C1=CC(=C(OC)C=C1)OC)(C2=CC=C(F)C=C2)CC([O-])=O
• InChI: 1S/C18H18FNO5/c1-24-15-8-5-12(9-16(15)25-2)18(23)20-14(10-17(21)22)11-3-6-13(19)7-4-11/h3-9,14H,10H2,1-2H3,(H,20,23)(H,21,22)/p-1/t14-/m0/s1
• InChIKey: BAZGVEVIVJMDHK-AWEZNQCLSA-M

Properties

• Boiling point: 519.389°C at 760 mmHg (Cal.)
• Flash point: 267.917°C (Cal.)