2-Methyl-2-Propanyl 2-Amino-6-{2-(Cyclopropylmethoxy)-6-[(4-Methoxybenzyl)Oxy]Phenyl}-4-(1-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-3-Piperidinyl)Nicotinate
[CAS# 405239-75-0]

Identification

• Name: 2-Methyl-2-Propanyl 2-Amino-6-{2-(Cyclopropylmethoxy)-6-[(4-Methoxybenzyl)Oxy]Phenyl}-4-(1-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-3-Piperidinyl)Nicotinate
• Synonyms: 3-Pyridinecarboxylic acid, 2-amino-6-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-4-[1-[(1,1-dimethylethoxy)carbonyl]-3-piperidinyl]-, 1,1-dimethylethyl ester; 3-Pyridinecarboxylic acid,2-amino-6-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-4-[1-[(1,1-dimethylethoxy)carbonyl]-3-piperidinyl]-,1,1-dimethylethyl ester
• Molecular Formula: C₃₈H₄₉N₃O₇
• Molecular Weight: 659.81
• CAS Registry Number: 405239-75-0
• SMILES: O=C(OC(C)(C)C)c4c(nc(c3c(OCc1ccc(OC)cc1)cccc3OCC2CC2)cc4C5CCCN(C(=O)OC(C)(C)C)C5)N
• InChI: 1S/C38H49N3O7/c1-37(2,3)47-35(42)32-28(26-10-9-19-41(21-26)36(43)48-38(4,5)6)20-29(40-34(32)39)33-30(45-22-24-13-14-24)11-8-12-31(33)46-23-25-15-17-27(44-7)18-16-25/h8,11-12,15-18,20,24,26H,9-10,13-14,19,21-23H2,1-7H3,(H2,39,40)
• InChIKey: FMXYYOXRBFDEIB-UHFFFAOYSA-N

Properties

• Density: 1.18g/cm³ (Cal.)
• Boiling point: 717.178°C at 760 mmHg (Cal.)
• Flash point: 387.535°C (Cal.)
• Refractive index: 1.575 (Cal.)