1-[(3-methylpyridin-4-yl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methylpyridin-4-yl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methyl-4-pyridyl)-(4-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methyl-4-pyridinyl)-(4-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylpyridin-4-yl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methyl-4-pyridyl)-(4-methyl-2-thienyl)methyl]nipecotic acid Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=C(C=NC=C2)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=C(C=NC=C2)C)N3CCCC(C3)C(=O)O

InChI

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