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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-pyridin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3-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=CN=CC=C2)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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