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

Systemtic Name: 2,3-bis(oxidanyl)-2,3-bis(phenylcarbonyl)butanedioic acid; 1-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]piperidin-1-yl]ethanone Openeye Name: 2,3-dibenzoyl-2,3-dihydroxy-butanedioic acid; 1-[4-[[ethyl-[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]methyl]-1-piperidyl]ethanone CAS Name: 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid; 1-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]-1-piperidinyl]ethanone IUPAC Name: 2,3-dibenzoyl-2,3-dihydroxybutanedioic acid; 1-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]piperidin-1-yl]ethanone Traditional Name: 2,3-dibenzoyl-2,3-dihydroxy-succinic acid; 1-[4-[[ethyl-[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]methyl]piperidino]ethanone Formula: C38H46N2O10 MolecularWeight: 690.77924

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCN(CC1)C(=O)C)C(C)CC2=CC=C(C=C2)OC.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)C)C(C)CC2=CC=C(C=C2)OC.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/C20H32N2O2.C18H14O8/c1-5-21(15-19-10-12-22(13-11-19)17(3)23)16(2)14-18-6-8-20(24-4)9-7-18;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/h6-9,16,19H,5,10-15H2,1-4H3;1-10,25-26H,(H,21,22)(H,23,24)