1-[(3-methoxyphenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3-methoxyphenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(3-methoxyphenyl)methyl]pipecolinic acid Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO5/c1-32-23-12-8-11-21(17-23)27(29-16-7-6-13-24(29)28(30)31)22-14-15-25(26(18-22)33-2)34-19-20-9-4-3-5-10-20/h3-5,8-12,14-15,17-18,24,27H,6-7,13,16,19H2,1-2H3,(H,30,31)