Catalog Number:
AG002H5Q
Chemical Name:
Benzeneacetic acid, α-hydroxy-, (αS)-, compd. with (αR)-4-methoxy-α-methyl-N-(phenylmethyl)benzeneethanamine (1:1)
CAS Number:
188690-84-8
Molecular Formula:
C25H29NO4
Molecular Weight:
407.5021
MDL Number:
MFCD13194789
IUPAC Name:
(2R)-N-benzyl-1-(4-methoxyphenyl)propan-2-amine;(2S)-2-hydroxy-2-phenylacetic acid
InChI:
InChI=1S/C17H21NO.C8H8O3/c1-14(18-13-16-6-4-3-5-7-16)12-15-8-10-17(19-2)11-9-15;9-7(8(10)11)6-4-2-1-3-5-6/h3-11,14,18H,12-13H2,1-2H3;1-5,7,9H,(H,10,11)/t14-;7-/m10/s1
InChI Key:
PDWPSGIFFIAUNQ-HQGDCIDMSA-N
SMILES:
O[C@@H](c1ccccc1)C(=O)O.COc1ccc(cc1)C[C@H](NCc1ccccc1)C
