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

Systemtic Name: 1-[(3-methoxyphenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(3-methoxyphenyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCC(C4)C(=O)O

InChI

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