ethanedioic acid; methyl 1-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]piperidine-4-carboxylate

Systemtic Name: ethanedioic acid; methyl 1-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]piperidine-4-carboxylate; oxalic acid CAS Name: 1-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-4-piperidinecarboxylic acid methyl ester; oxalic acid IUPAC Name: methyl 1-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate; oxalic acid Traditional Name: 1-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]isonipecotic acid methyl ester; oxalic acid Formula: C23H35NO8 MolecularWeight: 453.5259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2CCC(CC2)C(=O)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2CCC(CC2)C(=O)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H33NO4.C2H2O4/c1-15-12-17(21(2,3)4)6-7-19(15)26-14-18(23)13-22-10-8-16(9-11-22)20(24)25-5;3-1(4)2(5)6/h6-7,12,16,18,23H,8-11,13-14H2,1-5H3;(H,3,4)(H,5,6)