(2R,3R)-3-[(3,5-ditert-butylphenyl)methoxy]-2-phenyl-piperidine; ethanedioic acid

Systemtic Name: (2R,3R)-3-[(3,5-ditert-butylphenyl)methoxy]-2-phenyl-piperidine; ethanedioic acid Openeye Name: (2R,3R)-3-[(3,5-ditert-butylphenyl)methoxy]-2-phenyl-piperidine; oxalic acid CAS Name: (2R,3R)-3-[(3,5-ditert-butylphenyl)methoxy]-2-phenylpiperidine; oxalic acid IUPAC Name: (2R,3R)-3-[(3,5-ditert-butylphenyl)methoxy]-2-phenylpiperidine; oxalic acid Traditional Name: (2R,3R)-3-(3,5-ditert-butylbenzyl)oxy-2-phenyl-piperidine; oxalic acid Formula: C28H39NO5 MolecularWeight: 469.61296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)COC2CCCNC2C3=CC=CC=C3)C(C)(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CO[C@@H]2CCCN[C@@H]2C3=CC=CC=C3)C(C)(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H37NO.C2H2O4/c1-25(2,3)21-15-19(16-22(17-21)26(4,5)6)18-28-23-13-10-14-27-24(23)20-11-8-7-9-12-20;3-1(4)2(5)6/h7-9,11-12,15-17,23-24,27H,10,13-14,18H2,1-6H3;(H,3,4)(H,5,6)/t23-,24-;/m1./s1