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

Systemtic Name: 1-[1-(3-methoxy-4-phenylmethoxy-phenyl)pentyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(4-benzyloxy-3-methoxy-phenyl)pentyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(4-benzoxy-3-methoxy-phenyl)pentyl]nipecotic acid Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO4/c1-3-4-12-22(26-15-8-11-21(17-26)25(27)28)20-13-14-23(24(16-20)29-2)30-18-19-9-6-5-7-10-19/h5-7,9-10,13-14,16,21-22H,3-4,8,11-12,15,17-18H2,1-2H3,(H,27,28)