1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(4-dimethylaminophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(4-dimethylaminophenyl)methyl]isonipecotic acid Formula: C30H36N2O5 MolecularWeight: 504.61724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N2O5/c1-31(2)25-12-10-22(11-13-25)28(32-16-14-23(15-17-32)30(33)34)24-18-26(35-3)29(27(19-24)36-4)37-20-21-8-6-5-7-9-21/h5-13,18-19,23,28H,14-17,20H2,1-4H3,(H,33,34)