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

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(5-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(5-methyl-2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(5-methyl-2-pyridyl)methyl]isonipecotic acid Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=NC=C(C=C2)C)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=NC=C(C=C2)C)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C22H28N2O4/c1-4-28-19-8-6-17(13-20(19)27-3)21(18-7-5-15(2)14-23-18)24-11-9-16(10-12-24)22(25)26/h5-8,13-14,16,21H,4,9-12H2,1-3H3,(H,25,26)