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

Systemtic Name: 1-[(3-methylpyridin-4-yl)-(4-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-methyl-4-pyridyl)-(4-methyl-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-methyl-4-pyridinyl)-(4-methyl-2-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylpyridin-4-yl)-(4-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-methyl-4-pyridyl)-(4-methyl-2-thienyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=C(C=NC=C2)C)N3CCCCC3C(=O)O

InChI

InChI=1S/C18H22N2O2S/c1-12-9-16(23-11-12)17(14-6-7-19-10-13(14)2)20-8-4-3-5-15(20)18(21)22/h6-7,9-11,15,17H,3-5,8H2,1-2H3,(H,21,22)