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

Systemtic Name: 2,3-bis(oxidanyl)-2,3-bis(phenylcarbonyl)butanedioic acid; cyclohexyl-[4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]methanone Openeye Name: cyclohexyl-[4-[[ethyl-[1-methyl-2-[4-(trifluoromethyl)phenyl]ethyl]amino]methyl]-1-piperidyl]methanone; 2,3-dibenzoyl-2,3-dihydroxy-butanedioic acid CAS Name: cyclohexyl-[4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]-1-piperidinyl]methanone; 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid IUPAC Name: cyclohexyl-[4-[[ethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]piperidin-1-yl]methanone; 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid Traditional Name: cyclohexyl-[4-[[ethyl-[1-methyl-2-[4-(trifluoromethyl)phenyl]ethyl]amino]methyl]piperidino]methanone; 2,3-dibenzoyl-2,3-dihydroxy-succinic acid Formula: C43H51F3N2O9 MolecularWeight: 796.86825

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCN(CC1)C(=O)C2CCCCC2)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)C2CCCCC2)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/C25H37F3N2O.C18H14O8/c1-3-29(19(2)17-20-9-11-23(12-10-20)25(26,27)28)18-21-13-15-30(16-14-21)24(31)22-7-5-4-6-8-22;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/h9-12,19,21-22H,3-8,13-18H2,1-2H3;1-10,25-26H,(H,21,22)(H,23,24)