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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(5-methylpyridin-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(5-methyl-2-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(5-methyl-2-pyridyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=NC=C(C=C2)C)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

InChI

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