1-[(5-ethylthiophen-2-yl)-pyridin-3-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-pyridin-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-ethyl-2-thienyl)-(3-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-ethyl-2-thiophenyl)-(3-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylthiophen-2-yl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-ethyl-2-thienyl)-(3-pyridyl)methyl]pipecolinic acid Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CN=CC=C2)N3CCCCC3C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CN=CC=C2)N3CCCCC3C(=O)O

InChI

InChI=1S/C18H22N2O2S/c1-2-14-8-9-16(23-14)17(13-6-5-10-19-12-13)20-11-4-3-7-15(20)18(21)22/h5-6,8-10,12,15,17H,2-4,7,11H2,1H3,(H,21,22)