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

Systemtic Name: 1-[(4-dimethylaminophenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(4-dimethylaminophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(3-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(4-dimethylaminophenyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCCC4C(=O)O

InChI

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