1-[(3-phenylmethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-phenylmethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-phenylmethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenylmethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]isonipecotic acid Formula: C29H33NO6 MolecularWeight: 491.57542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C29H33NO6/c1-33-25-17-23(18-26(34-2)28(25)35-3)27(30-14-12-21(13-15-30)29(31)32)22-10-7-11-24(16-22)36-19-20-8-5-4-6-9-20/h4-11,16-18,21,27H,12-15,19H2,1-3H3,(H,31,32)