2,3-bis(oxidanyl)-2,3-bis(phenylcarbonyl)butanedioic acid; 1-cyclohexyl-4-[2-(3-methylphenyl)-1-phenyl-ethyl]piperazine

Systemtic Name: 2,3-bis(oxidanyl)-2,3-bis(phenylcarbonyl)butanedioic acid; 1-cyclohexyl-4-[2-(3-methylphenyl)-1-phenyl-ethyl]piperazine Openeye Name: 1-cyclohexyl-4-[2-(m-tolyl)-1-phenyl-ethyl]piperazine; 2,3-dibenzoyl-2,3-dihydroxy-butanedioic acid CAS Name: 1-cyclohexyl-4-[2-(3-methylphenyl)-1-phenylethyl]piperazine; 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid IUPAC Name: 1-cyclohexyl-4-[2-(3-methylphenyl)-1-phenylethyl]piperazine; 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid Traditional Name: 1-cyclohexyl-4-[2-(m-tolyl)-1-phenyl-ethyl]piperazine; 2,3-dibenzoyl-2,3-dihydroxy-succinic acid Formula: C43H48N2O8 MolecularWeight: 720.84982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C2=CC=CC=C2)N3CCN(CC3)C4CCCCC4.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

CC1=CC(=CC=C1)CC(C2=CC=CC=C2)N3CCN(CC3)C4CCCCC4.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/C25H34N2.C18H14O8/c1-21-9-8-10-22(19-21)20-25(23-11-4-2-5-12-23)27-17-15-26(16-18-27)24-13-6-3-7-14-24;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/h2,4-5,8-12,19,24-25H,3,6-7,13-18,20H2,1H3;1-10,25-26H,(H,21,22)(H,23,24)