1-[4-methyl-1-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-phenyl-pyrimidin-5-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-methyl-1-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-phenyl-pyrimidin-5-yl]piperidine-4-carboxylic acid Openeye Name: 1-(1-isobutyl-4-methyl-2,6-dioxo-3-phenyl-pyrimidin-5-yl)piperidine-4-carboxylic acid CAS Name: 1-[4-methyl-1-(2-methylpropyl)-2,6-dioxo-3-phenyl-5-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-methyl-1-(2-methylpropyl)-2,6-dioxo-3-phenylpyrimidin-5-yl]piperidine-4-carboxylic acid Traditional Name: 1-(1-isobutyl-2,6-diketo-4-methyl-3-phenyl-pyrimidin-5-yl)isonipecotic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)N1C2=CC=CC=C2)CC(C)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(C(=O)N1C2=CC=CC=C2)CC(C)C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H27N3O4/c1-14(2)13-23-19(25)18(22-11-9-16(10-12-22)20(26)27)15(3)24(21(23)28)17-7-5-4-6-8-17/h4-8,14,16H,9-13H2,1-3H3,(H,26,27)