1-[(4-dimethylaminophenyl)-(5-ethylpyridin-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(5-ethylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(5-ethyl-2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(5-ethyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(5-ethylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(5-ethyl-2-pyridyl)methyl]nipecotic acid Formula: C22H29N3O2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC=C(C=C2)N(C)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC=C(C=C2)N(C)C)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C22H29N3O2/c1-4-16-7-12-20(23-14-16)21(17-8-10-19(11-9-17)24(2)3)25-13-5-6-18(15-25)22(26)27/h7-12,14,18,21H,4-6,13,15H2,1-3H3,(H,26,27)