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

Systemtic Name: 1-[(4-dimethylaminophenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(3-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(4-dimethylaminophenyl)methyl]isonipecotic 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=C2)OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

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