Catalog Number:
AG00DB8W
Chemical Name:
(3aR,4S,7aR)-Octahydro-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-1H-indole-1-carboxylic acid methyl ester
CAS Number:
543906-09-8
Molecular Formula:
C19H23NO3
Molecular Weight:
313.3908
MDL Number:
MFCD18633263
IUPAC Name:
methyl (3aR,4S,7aR)-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
InChI:
InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1
InChI Key:
ZFPZEYHRWGMJCV-ZHALLVOQSA-N
SMILES:
COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#Cc1cccc(c1)C
UNII:
GT0I9SV4F6
