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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]isonipecotic acid Formula: C30H35NO7 MolecularWeight: 521.6014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCC(CC4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCC(CC4)C(=O)O)OC

InChI

InChI=1S/C30H35NO7/c1-34-24-11-10-22(16-25(24)35-2)28(31-14-12-21(13-15-31)30(32)33)23-17-26(36-3)29(27(18-23)37-4)38-19-20-8-6-5-7-9-20/h5-11,16-18,21,28H,12-15,19H2,1-4H3,(H,32,33)