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

Systemtic Name: 2,3-bis(oxidanyl)-2,3-bis(phenylcarbonyl)butanedioic acid; [4-[[1-(3-chlorophenyl)propan-2-yl-ethyl-amino]methyl]piperidin-1-yl]-cyclohexyl-methanone Openeye Name: [4-[[[2-(3-chlorophenyl)-1-methyl-ethyl]-ethyl-amino]methyl]-1-piperidyl]-cyclohexyl-methanone; 2,3-dibenzoyl-2,3-dihydroxy-butanedioic acid CAS Name: [4-[[1-(3-chlorophenyl)propan-2-yl-ethylamino]methyl]-1-piperidinyl]-cyclohexylmethanone; 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid IUPAC Name: [4-[[1-(3-chlorophenyl)propan-2-yl-ethylamino]methyl]piperidin-1-yl]-cyclohexylmethanone; 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid Traditional Name: [4-[[[2-(3-chlorophenyl)-1-methyl-ethyl]-ethyl-amino]methyl]piperidino]-cyclohexyl-methanone; 2,3-dibenzoyl-2,3-dihydroxy-succinic acid Formula: C42H51ClN2O9 MolecularWeight: 763.31534

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCN(CC1)C(=O)C2CCCCC2)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)C2CCCCC2)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/C24H37ClN2O.C18H14O8/c1-3-26(19(2)16-21-8-7-11-23(25)17-21)18-20-12-14-27(15-13-20)24(28)22-9-5-4-6-10-22;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/h7-8,11,17,19-20,22H,3-6,9-10,12-16,18H2,1-2H3;1-10,25-26H,(H,21,22)(H,23,24)