ethanedioic acid; 3-(4-methyl-1-phenethyl-3-propyl-piperidin-3-yl)phenol

Systemtic Name: ethanedioic acid; 3-(4-methyl-1-phenethyl-3-propyl-piperidin-3-yl)phenol Openeye Name: 3-(4-methyl-1-phenethyl-3-propyl-3-piperidyl)phenol; oxalic acid CAS Name: 3-(4-methyl-1-phenethyl-3-propyl-3-piperidinyl)phenol; oxalic acid IUPAC Name: 3-(4-methyl-1-phenethyl-3-propylpiperidin-3-yl)phenol; oxalic acid Traditional Name: 3-(4-methyl-1-phenethyl-3-propyl-3-piperidyl)phenol; oxalic acid Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CN(CCC1C)CCC2=CC=CC=C2)C3=CC(=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCC1(CN(CCC1C)CCC2=CC=CC=C2)C3=CC(=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H31NO.C2H2O4/c1-3-14-23(21-10-7-11-22(25)17-21)18-24(15-12-19(23)2)16-13-20-8-5-4-6-9-20;3-1(4)2(5)6/h4-11,17,19,25H,3,12-16,18H2,1-2H3;(H,3,4)(H,5,6)