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

Systemtic Name: 1-[(5-methylpyridin-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-methyl-2-pyridyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-methylpyridin-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-methyl-2-pyridyl)-(3,4,5-trimethoxyphenyl)methyl]nipecotic 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(=C2)OC)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C22H28N2O5/c1-14-7-8-17(23-12-14)20(24-9-5-6-15(13-24)22(25)26)16-10-18(27-2)21(29-4)19(11-16)28-3/h7-8,10-12,15,20H,5-6,9,13H2,1-4H3,(H,25,26)