1-[(3-ethoxy-4-phenylmethoxy-phenyl)-pyridin-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-pyridin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(2-pyridyl)methyl]isonipecotic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4/c1-2-32-25-18-22(11-12-24(25)33-19-20-8-4-3-5-9-20)26(23-10-6-7-15-28-23)29-16-13-21(14-17-29)27(30)31/h3-12,15,18,21,26H,2,13-14,16-17,19H2,1H3,(H,30,31)