3-[2-(1-Benzyl-3,5-Dioxo-2-Phenyl-1,2,4-Triazolidin-4-Yl)-4,4-Dimethyl-3-Oxovalerylamino]-4-Chlorobenzoic Acid 1-Dodecyloxycarbonylethyl Ester
[CAS# 71297-15-9]

Identification

• Name: 3-[2-(1-Benzyl-3,5-Dioxo-2-Phenyl-1,2,4-Triazolidin-4-Yl)-4,4-Dimethyl-3-Oxovalerylamino]-4-Chlorobenzoic Acid 1-Dodecyloxycarbonylethyl Ester
• Synonyms: (2-Dodecoxy-1-Methyl-2-Oxo-Ethyl) 4-Chloro-3-[[2-[3,5-Dioxo-1-Phenyl-2-(Phenylmethyl)-1,2,4-Triazolidin-4-Yl]-4,4-Dimethyl-3-Oxo-Pentanoyl]Amino]Benzoate; 4-Chloro-3-[[2-[3,5-Dioxo-1-Phenyl-2-(Phenylmethyl)-1,2,4-Triazolidin-4-Yl]-4,4-Dimethyl-1,3-Dioxopentyl]Amino]Benzoic Acid (2-Dodecoxy-1-Methyl-2-Oxoethyl) Ester; 3-[[2-[1-(Benzyl)-3,5-Diketo-2-Phenyl-1,2,4-Triazolidin-4-Yl]-3-Keto-4,4-Dimethyl-Pentanoyl]Amino]-4-Chloro-Benzoic Acid (2-Keto-2-Lauryloxy-1-Methyl-Ethyl) Ester
• Molecular Formula: C₄₄H₅₅ClN₄O₈
• Molecular Weight: 803.39
• CAS Registry Number: 71297-15-9
• SMILES: C1=CC(=CC(=C1Cl)NC(=O)C(N2C(=O)N(N(C2=O)C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)C(C)(C)C)C(=O)OC(C(=O)OCCCCCCCCCCCC)C
• InChI: 1S/C44H55ClN4O8/c1-6-7-8-9-10-11-12-13-14-21-28-56-40(52)31(2)57-41(53)33-26-27-35(45)36(29-33)46-39(51)37(38(50)44(3,4)5)48-42(54)47(30-32-22-17-15-18-23-32)49(43(48)55)34-24-19-16-20-25-34/h15-20,22-27,29,31,37H,6-14,21,28,30H2,1-5H3,(H,46,51)
• InChIKey: ONXHKHVNPZCHFB-UHFFFAOYSA-N

Properties

• Density: 1.22g/cm³ (Cal.)