1-[6-methyl-5-[(4-methylphenyl)methyl]-4-oxidanylidene-1H-pyrimidin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-methyl-5-[(4-methylphenyl)methyl]-4-oxidanylidene-1H-pyrimidin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-methyl-4-oxo-5-(p-tolylmethyl)-1H-pyrimidin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-methyl-5-[(4-methylphenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-methyl-5-[(4-methylphenyl)methyl]-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-keto-6-methyl-5-(4-methylbenzyl)-1H-pyrimidin-2-yl]isonipecotic acid Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)N3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)N3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C19H23N3O3/c1-12-3-5-14(6-4-12)11-16-13(2)20-19(21-17(16)23)22-9-7-15(8-10-22)18(24)25/h3-6,15H,7-11H2,1-2H3,(H,24,25)(H,20,21,23)