3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenyl-piperidine; 2-oxidanyl-2-phenyl-ethanoic acid

Systemtic Name: 3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenyl-piperidine; 2-oxidanyl-2-phenyl-ethanoic acid Openeye Name: 2-hydroxy-2-phenyl-acetic acid; 3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenyl-piperidine CAS Name: 2-hydroxy-2-phenylacetic acid; 3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine IUPAC Name: 2-hydroxy-2-phenylacetic acid; 3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenylpiperidine Traditional Name: madelic acid; 3-[(4-methoxyphenoxy)methyl]-1-methyl-4-phenyl-piperidine Formula: C28H33NO5 MolecularWeight: 463.56532

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)COC2=CC=C(C=C2)OC)C3=CC=CC=C3.C1=CC=C(C=C1)C(C(=O)O)O

Isomeric SMILES

CN1CCC(C(C1)COC2=CC=C(C=C2)OC)C3=CC=CC=C3.C1=CC=C(C=C1)C(C(=O)O)O

InChI

InChI=1S/C20H25NO2.C8H8O3/c1-21-13-12-20(16-6-4-3-5-7-16)17(14-21)15-23-19-10-8-18(22-2)9-11-19;9-7(8(10)11)6-4-2-1-3-5-6/h3-11,17,20H,12-15H2,1-2H3;1-5,7,9H,(H,10,11)