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

Systemtic Name: 1-[(3-methylpyridin-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methyl-2-pyridyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylpyridin-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-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=C(N=CC=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

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