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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCC(C4)C(=O)O)OC

InChI

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