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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(5-ethylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(5-ethyl-2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(5-ethyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(5-ethylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(5-ethyl-2-pyridyl)methyl]nipecotic acid Formula: C18H21BrN2O2S MolecularWeight: 409.34054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC=C(S2)Br)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC=C(S2)Br)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C18H21BrN2O2S/c1-2-12-5-6-14(20-10-12)17(15-7-8-16(19)24-15)21-9-3-4-13(11-21)18(22)23/h5-8,10,13,17H,2-4,9,11H2,1H3,(H,22,23)