2,3-bis(oxidanyl)-2,3-bis(phenylcarbonyl)butanedioic acid; 4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-N,N-dimethyl-piperidine-1-carboxamide

Systemtic Name: 2,3-bis(oxidanyl)-2,3-bis(phenylcarbonyl)butanedioic acid; 4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-N,N-dimethyl-piperidine-1-carboxamide Openeye Name: 2,3-dibenzoyl-2,3-dihydroxy-butanedioic acid; 4-[[ethyl-[1-methyl-2-[4-(trifluoromethyl)phenyl]ethyl]amino]methyl]-N,N-dimethyl-piperidine-1-carboxamide CAS Name: 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid; 4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-N,N-dimethyl-1-piperidinecarboxamide IUPAC Name: 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid; 4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide Traditional Name: 2,3-dibenzoyl-2,3-dihydroxy-succinic acid; 4-[[ethyl-[1-methyl-2-[4-(trifluoromethyl)phenyl]ethyl]amino]methyl]-N,N-dimethyl-piperidine-1-carboxamide Formula: C39H46F3N3O9 MolecularWeight: 757.79245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCN(CC1)C(=O)N(C)C)C(C)CC2=CC=C(C=C2)C(F)(F)F.C1=CC=C(C=C1)C(=O)C(C(=O)O)(C(C(=O)C2=CC=CC=C2)(C(=O)O)O)O

Isomeric SMILES

CCN(CC1CCN(CC1)C(=O)N(C)C)C(C)CC2=CC=C(C=C2)C(F)(F)F.C1=CC=C(C=C1)C(=O)C(C(=O)O)(C(C(=O)C2=CC=CC=C2)(C(=O)O)O)O

InChI

InChI=1S/C21H32F3N3O.C18H14O8/c1-5-26(15-18-10-12-27(13-11-18)20(28)25(3)4)16(2)14-17-6-8-19(9-7-17)21(22,23)24;19-13(11-7-3-1-4-8-11)17(25,15(21)22)18(26,16(23)24)14(20)12-9-5-2-6-10-12/h6-9,16,18H,5,10-15H2,1-4H3;1-10,25-26H,(H,21,22)(H,23,24)