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

Systemtic Name: ethanedioic acid; 4-(3-methyl-1-phenethyl-piperidin-3-yl)phenol Openeye Name: 4-(3-methyl-1-phenethyl-3-piperidyl)phenol; oxalic acid CAS Name: 4-(3-methyl-1-phenethyl-3-piperidinyl)phenol; oxalic acid IUPAC Name: 4-(3-methyl-1-phenethylpiperidin-3-yl)phenol; oxalic acid Traditional Name: 4-(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=C(C=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

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