1-[(4-dimethylaminophenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(4-dimethylaminophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(2-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-(4-dimethylaminophenyl)methyl]nipecotic acid Formula: C28H32N2O3 MolecularWeight: 444.56528

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C28H32N2O3/c1-29(2)24-16-14-22(15-17-24)27(30-18-8-11-23(19-30)28(31)32)25-12-6-7-13-26(25)33-20-21-9-4-3-5-10-21/h3-7,9-10,12-17,23,27H,8,11,18-20H2,1-2H3,(H,31,32)