Ethyl 2-[(1S,4R)-4-(Phenylmethyl)-1,3,4,9-Tetrahydropyrano[3,4-b]Indol-1-Yl]Acetate
[CAS# 114716-16-4]

Identification

• Name: Ethyl 2-[(1S,4R)-4-(Phenylmethyl)-1,3,4,9-Tetrahydropyrano[3,4-b]Indol-1-Yl]Acetate
• Synonyms: 2-[(1S,4R)-4-(Phenylmethyl)-1,3,4,9-Tetrahydropyrano[3,4-B]Indol-1-Yl]Acetic Acid Ethyl Ester; 2-[(1S,4R)-4-(Benzyl)-1,3,4,9-Tetrahydropyrano[3,4-B]Indol-1-Yl]Acetic Acid Ethyl Ester; Ethyl 2-[(1S,4R)-4-(Phenylmethyl)-1,3,4,9-Tetrahydropyrano[3,4-B]Indol-1-Yl]Ethanoate
• Molecular Formula: C₂₂H₂₃NO₃
• Molecular Weight: 349.43
• CAS Registry Number: 114716-16-4
• SMILES: [C@@H]3(C1=C(C2=C([NH]1)C=CC=C2)[C@H](CO3)CC4=CC=CC=C4)CC(=O)OCC
• InChI: 1S/C22H23NO3/c1-2-25-20(24)13-19-22-21(17-10-6-7-11-18(17)23-22)16(14-26-19)12-15-8-4-3-5-9-15/h3-11,16,19,23H,2,12-14H2,1H3/t16-,19-/m0/s1
• InChIKey: POEKLEWUCNVWLT-LPHOPBHVSA-N

Properties

• Density: 1.196g/cm³ (Cal.)
• Boiling point: 536.021°C at 760 mmHg (Cal.)
• Flash point: 277.976°C (Cal.)