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

Systemtic Name: 2,3-bis(oxidanyl)-2,3-bis(phenylcarbonyl)butanedioic acid; 4-[[1-(3-chlorophenyl)propan-2-yl-ethyl-amino]methyl]-N-cyclohexyl-piperidine-1-carboxamide Openeye Name: 4-[[[2-(3-chlorophenyl)-1-methyl-ethyl]-ethyl-amino]methyl]-N-cyclohexyl-piperidine-1-carboxamide; 2,3-dibenzoyl-2,3-dihydroxy-butanedioic acid CAS Name: 4-[[1-(3-chlorophenyl)propan-2-yl-ethylamino]methyl]-N-cyclohexyl-1-piperidinecarboxamide; 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid IUPAC Name: 4-[[1-(3-chlorophenyl)propan-2-yl-ethylamino]methyl]-N-cyclohexylpiperidine-1-carboxamide; 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid Traditional Name: 4-[[[2-(3-chlorophenyl)-1-methyl-ethyl]-ethyl-amino]methyl]-N-cyclohexyl-piperidine-1-carboxamide; 2,3-dibenzoyl-2,3-dihydroxy-succinic acid Formula: C42H52ClN3O9 MolecularWeight: 778.32998

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCN(CC1)C(=O)NC2CCCCC2)C(C)CC3=CC(=CC=C3)Cl.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)NC2CCCCC2)C(C)CC3=CC(=CC=C3)Cl.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/C24H38ClN3O.C18H14O8/c1-3-27(19(2)16-21-8-7-9-22(25)17-21)18-20-12-14-28(15-13-20)24(29)26-23-10-5-4-6-11-23;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/h7-9,17,19-20,23H,3-6,10-16,18H2,1-2H3,(H,26,29);1-10,25-26H,(H,21,22)(H,23,24)