1-[1-(3-ethoxy-4-phenylmethoxy-phenyl)pentyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(3-ethoxy-4-phenylmethoxy-phenyl)pentyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(4-benzyloxy-3-ethoxy-phenyl)pentyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(3-ethoxy-4-phenylmethoxyphenyl)pentyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-ethoxy-4-phenylmethoxyphenyl)pentyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(4-benzoxy-3-ethoxy-phenyl)pentyl]nipecotic acid Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C26H35NO4/c1-3-5-13-23(27-16-9-12-22(18-27)26(28)29)21-14-15-24(25(17-21)30-4-2)31-19-20-10-7-6-8-11-20/h6-8,10-11,14-15,17,22-23H,3-5,9,12-13,16,18-19H2,1-2H3,(H,28,29)