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

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-ethyl-2-pyridyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-ethyl-2-pyridinyl)-(2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylpyridin-2-yl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-ethyl-2-pyridyl)-(2-methoxyphenyl)methyl]nipecotic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC=CC=C2OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC=CC=C2OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H26N2O3/c1-3-15-10-11-18(22-13-15)20(17-8-4-5-9-19(17)26-2)23-12-6-7-16(14-23)21(24)25/h4-5,8-11,13,16,20H,3,6-7,12,14H2,1-2H3,(H,24,25)