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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(2-pyridyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

InChI

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