2,3-bis(oxidanyl)-2,3-bis(phenylcarbonyl)butanedioic acid; [4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]-piperidin-1-yl-methanone

Systemtic Name: 2,3-bis(oxidanyl)-2,3-bis(phenylcarbonyl)butanedioic acid; [4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]-piperidin-1-yl-methanone Openeye Name: 2,3-dibenzoyl-2,3-dihydroxy-butanedioic acid; [4-[[ethyl-[1-methyl-2-[4-(trifluoromethyl)phenyl]ethyl]amino]methyl]-1-piperidyl]-(1-piperidyl)methanone CAS Name: 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid; [4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-1-piperidinyl]-(1-piperidinyl)methanone IUPAC Name: 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid; [4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]-piperidin-1-ylmethanone Traditional Name: 2,3-dibenzoyl-2,3-dihydroxy-succinic acid; [4-[[ethyl-[1-methyl-2-[4-(trifluoromethyl)phenyl]ethyl]amino]methyl]piperidino]-piperidino-methanone Formula: C42H50F3N3O9 MolecularWeight: 797.85631

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCN(CC1)C(=O)N2CCCCC2)C(C)CC3=CC=C(C=C3)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)N2CCCCC2)C(C)CC3=CC=C(C=C3)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/C24H36F3N3O.C18H14O8/c1-3-28(19(2)17-20-7-9-22(10-8-20)24(25,26)27)18-21-11-15-30(16-12-21)23(31)29-13-5-4-6-14-29;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/h7-10,19,21H,3-6,11-18H2,1-2H3;1-10,25-26H,(H,21,22)(H,23,24)