1-[(5-methylpyridin-2-yl)-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-methylpyridin-2-yl)-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-methyl-2-pyridyl)-(5-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-methyl-2-pyridinyl)-(5-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-methylpyridin-2-yl)-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-methyl-2-pyridyl)-(5-methyl-2-thienyl)methyl]nipecotic acid Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC=C(S2)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC=C(S2)C)N3CCCC(C3)C(=O)O

InChI

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