2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-6-methyl-pyridine-3-carboxylic acid

Systemtic Name: 2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-[(2S)-2-(1-imidazolylmethyl)-1-pyrrolidinyl]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid Traditional Name: 2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidino]-6-methyl-nicotinic acid Formula: C15H18N4O2 MolecularWeight: 286.32902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)O)N2CCCC2CN3C=CN=C3

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)O)N2CCC[C@H]2CN3C=CN=C3

InChI

InChI=1S/C15H18N4O2/c1-11-4-5-13(15(20)21)14(17-11)19-7-2-3-12(19)9-18-8-6-16-10-18/h4-6,8,10,12H,2-3,7,9H2,1H3,(H,20,21)/t12-/m0/s1