6-chloranyl-4,4-dimethyl-2-[3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-phenyl]-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-chloranyl-4,4-dimethyl-2-[3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-phenyl]-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-(3-tert-butoxycarbonyl-4-phenyl-phenyl)-6-chloro-4,4-dimethyl-1H-pyrimidine-5-carboxylic acid CAS Name: 6-chloro-4,4-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-phenylphenyl]-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-chloro-4,4-dimethyl-2-[3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylphenyl]-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-(3-tert-butoxycarbonyl-4-phenyl-phenyl)-6-chloro-4,4-dimethyl-1H-pyrimidine-5-carboxylic acid Formula: C24H25ClN2O4 MolecularWeight: 440.9193

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(NC(=N1)C2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C)Cl)C(=O)O)C

Isomeric SMILES

CC1(C(=C(NC(=N1)C2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C)Cl)C(=O)O)C

InChI

InChI=1S/C24H25ClN2O4/c1-23(2,3)31-22(30)17-13-15(11-12-16(17)14-9-7-6-8-10-14)20-26-19(25)18(21(28)29)24(4,5)27-20/h6-13H,1-5H3,(H,26,27)(H,28,29)