1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(5-methyl-2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(5-methyl-2-pyridyl)methyl]nipecotic acid Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O4/c1-3-33-26-16-22(12-14-25(26)34-19-21-8-5-4-6-9-21)27(24-13-11-20(2)17-29-24)30-15-7-10-23(18-30)28(31)32/h4-6,8-9,11-14,16-17,23,27H,3,7,10,15,18-19H2,1-2H3,(H,31,32)