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

Systemtic Name: 1-[(5-methylpyridin-2-yl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-methyl-2-pyridyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-methylpyridin-2-yl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[asaryl-(5-methyl-2-pyridyl)methyl]isonipecotic acid Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC(=C(C=C2OC)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC(=C(C=C2OC)OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H28N2O5/c1-14-5-6-17(23-13-14)21(24-9-7-15(8-10-24)22(25)26)16-11-19(28-3)20(29-4)12-18(16)27-2/h5-6,11-13,15,21H,7-10H2,1-4H3,(H,25,26)