Catalog Number:
AG0005AK
Chemical Name:
Benzeneacetic acid, α-hydroxy-α-(3-methyl-1-pentyn-1-yl)-, 1-methyl-4-piperidinyl ester
CAS Number:
101711-09-5
Molecular Formula:
C20H27NO3
Molecular Weight:
329.4333
IUPAC Name:
(1-methylpiperidin-4-yl) 2-hydroxy-5-methyl-2-phenylhept-3-ynoate
InChI:
InChI=1S/C20H27NO3/c1-4-16(2)10-13-20(23,17-8-6-5-7-9-17)19(22)24-18-11-14-21(3)15-12-18/h5-9,16,18,23H,4,11-12,14-15H2,1-3H3
InChI Key:
HDUXUOVCPBZSCM-UHFFFAOYSA-N
SMILES:
CCC(C#CC(c1ccccc1)(C(=O)OC1CCN(CC1)C)O)C