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

Systemtic Name: ethanedioic acid; 3-(3-methyl-1-phenethyl-piperidin-3-yl)phenol Openeye Name: 3-(3-methyl-1-phenethyl-3-piperidyl)phenol; oxalic acid CAS Name: 3-(3-methyl-1-phenethyl-3-piperidinyl)phenol; oxalic acid IUPAC Name: 3-(3-methyl-1-phenethylpiperidin-3-yl)phenol; oxalic acid Traditional Name: 3-(3-methyl-1-phenethyl-3-piperidyl)phenol; oxalic acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1)CCC2=CC=CC=C2)C3=CC(=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1(CCCN(C1)CCC2=CC=CC=C2)C3=CC(=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25NO.C2H2O4/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17;3-1(4)2(5)6/h2-5,7-10,15,22H,6,11-14,16H2,1H3;(H,3,4)(H,5,6)