1-[(4-dimethylaminophenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(4-dimethylaminophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(4-dimethylaminophenyl)methyl]nipecotic acid Formula: C29H34N2O4 MolecularWeight: 474.59126

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCC(C4)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C29H34N2O4/c1-30(2)25-14-11-22(12-15-25)28(31-17-7-10-24(19-31)29(32)33)23-13-16-26(27(18-23)34-3)35-20-21-8-5-4-6-9-21/h4-6,8-9,11-16,18,24,28H,7,10,17,19-20H2,1-3H3,(H,32,33)