2-methyl-N1-[(2S,3R)-3-oxidanyl-4-(propan-2-ylamino)-1-[3-(trifluoromethyloxy)phenyl]butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: 2-methyl-N1-[(2S,3R)-3-oxidanyl-4-(propan-2-ylamino)-1-[3-(trifluoromethyloxy)phenyl]butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S,2R)-2-hydroxy-3-(isopropylamino)-1-[[3-(trifluoromethoxy)phenyl]methyl]propyl]-2-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S,3R)-3-hydroxy-4-(propan-2-ylamino)-1-[3-(trifluoromethoxy)phenyl]butan-2-yl]-2-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S,3R)-3-hydroxy-4-(propan-2-ylamino)-1-[3-(trifluoromethoxy)phenyl]butan-2-yl]-2-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S,2R)-2-hydroxy-3-(isopropylamino)-1-[3-(trifluoromethoxy)benzyl]propyl]-2-methyl-N',N'-dipropyl-isophthalamide Formula: C29H40F3N3O4 MolecularWeight: 551.64081

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC=CC(=C1C)C(=O)NC(CC2=CC(=CC=C2)OC(F)(F)F)C(CNC(C)C)O

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC=CC(=C1C)C(=O)N[C@@H](CC2=CC(=CC=C2)OC(F)(F)F)[C@@H](CNC(C)C)O

InChI

InChI=1S/C29H40F3N3O4/c1-6-14-35(15-7-2)28(38)24-13-9-12-23(20(24)5)27(37)34-25(26(36)18-33-19(3)4)17-21-10-8-11-22(16-21)39-29(30,31)32/h8-13,16,19,25-26,33,36H,6-7,14-15,17-18H2,1-5H3,(H,34,37)/t25-,26+/m0/s1