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

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-ethyl-2-pyridyl)-(2-furyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-ethyl-2-pyridinyl)-(2-furanyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylpyridin-2-yl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-ethyl-2-pyridyl)-(2-furyl)methyl]nipecotic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC=CO2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC=CO2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C18H22N2O3/c1-2-13-7-8-15(19-11-13)17(16-6-4-10-23-16)20-9-3-5-14(12-20)18(21)22/h4,6-8,10-11,14,17H,2-3,5,9,12H2,1H3,(H,21,22)