1-[(3-phenylmethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3-phenylmethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-phenylmethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenylmethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCCC4C(=O)O

InChI

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