[(3aR,8bS)-3,4,8b-Trimethyl-2,3a-Dihydro-1H-Pyrrolo[2,3-b]Indol-7-Yl] 3,4-Dihydro-1H-Isoquinoline-2-Carboxylate
[CAS# 139314-01-5]

Identification

• Name: [(3aR,8bS)-3,4,8b-Trimethyl-2,3a-Dihydro-1H-Pyrrolo[2,3-b]Indol-7-Yl] 3,4-Dihydro-1H-Isoquinoline-2-Carboxylate
• Synonyms: 3,4-Dihydro-1H-Isoquinoline-2-Carboxylic Acid [(3Ar,8Bs)-3,4,8B-Trimethyl-2,3A-Dihydro-1H-Pyrrolo[2,3-B]Indol-7-Yl] Ester; (3As,8Ar)-1,2,3,3A,8,8A-Hexahydro-1,3A,8-Trimethylpyrrolo(2,3-B)Indol-5-Yl 3,4-Dihydro-2(1H)-Isoquinolinecarboxylate; 2(1H)-Isoquinolinecarboxylic Acid, 3,4-Dihydro-, 1,2,3,3A,8,8A-Hexahydro-1,3A,8-Trimethylpyrrolo(2,3-B)Indol-5-Yl Ester, (3As-Cis)-
• Molecular Formula: C₂₃H₂₇N₃O₂
• Molecular Weight: 377.49
• CAS Registry Number: 139314-01-5
• SMILES: [C@@]45(C1=C(C=CC(=C1)OC(N3CC2=CC=CC=C2CC3)=O)N([C@H]4N(C)CC5)C)C
• InChI: 1S/C23H27N3O2/c1-23-11-13-24(2)21(23)25(3)20-9-8-18(14-19(20)23)28-22(27)26-12-10-16-6-4-5-7-17(16)15-26/h4-9,14,21H,10-13,15H2,1-3H3/t21-,23+/m1/s1
• InChIKey: IIFRKALDATVOJE-GGAORHGYSA-N

Properties

• Density: 1.215g/cm³ (Cal.)
• Boiling point: 535.706°C at 760 mmHg (Cal.)
• Flash point: 277.785°C (Cal.)