1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]pipecolinic acid Formula: C30H35NO7 MolecularWeight: 521.6014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCCC4C(=O)O

InChI

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