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

Systemtic Name: 1-[1-(3,5-dimethoxy-4-phenylmethoxy-phenyl)pentyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(4-benzyloxy-3,5-dimethoxy-phenyl)pentyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(4-benzoxy-3,5-dimethoxy-phenyl)pentyl]isonipecotic acid Formula: C26H35NO5 MolecularWeight: 441.5598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C(=C1)OC)OCC2=CC=CC=C2)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCCCC(C1=CC(=C(C(=C1)OC)OCC2=CC=CC=C2)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C26H35NO5/c1-4-5-11-22(27-14-12-20(13-15-27)26(28)29)21-16-23(30-2)25(24(17-21)31-3)32-18-19-9-7-6-8-10-19/h6-10,16-17,20,22H,4-5,11-15,18H2,1-3H3,(H,28,29)