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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCC(C4)C(=O)O

InChI

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