Catalog Number:
AG00GUHM
Chemical Name:
1-[3-(Benzoyloxy)propyl]-2,3-dihydro-5-[(2R)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1H-indole-7-carbonitrile ethanedioate
CAS Number:
885340-12-5
Molecular Formula:
C34H36F3N3O8
Molecular Weight:
671.6601
MDL Number:
MFCD22494934
IUPAC Name:
3-[7-cyano-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindol-1-yl]propyl benzoate;oxalic acid
InChI:
InChI=1S/C32H34F3N3O4.C2H2O4/c1-23(37-13-17-40-28-10-5-6-11-29(28)42-22-32(33,34)35)18-24-19-26-12-15-38(30(26)27(20-24)21-36)14-7-16-41-31(39)25-8-3-2-4-9-25;3-1(4)2(5)6/h2-6,8-11,19-20,23,37H,7,12-18,22H2,1H3;(H,3,4)(H,5,6)/t23-;/m1./s1
InChI Key:
BAYQIJBUNUHEKS-GNAFDRTKSA-N
SMILES:
OC(=O)C(=O)O.N#Cc1cc(C[C@H](NCCOc2ccccc2OCC(F)(F)F)C)cc2c1N(CCCOC(=O)c1ccccc1)CC2
