1-[(2,5-dimethoxyphenyl)-(3-methylpyridin-4-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(3-methylpyridin-4-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,5-dimethoxyphenyl)-(3-methyl-4-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,5-dimethoxyphenyl)-(3-methyl-4-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(3-methylpyridin-4-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,5-dimethoxyphenyl)-(3-methyl-4-pyridyl)methyl]isonipecotic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)C(C2=C(C=CC(=C2)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=C(C=CC(=C2)OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H26N2O4/c1-14-13-22-9-6-17(14)20(23-10-7-15(8-11-23)21(24)25)18-12-16(26-2)4-5-19(18)27-3/h4-6,9,12-13,15,20H,7-8,10-11H2,1-3H3,(H,24,25)