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

Systemtic Name: 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-phenyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-(3-tert-butoxycarbonyl-4-phenyl-phenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-[3-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-phenylphenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylphenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-(3-tert-butoxycarbonyl-4-phenyl-phenyl)-6-keto-1H-pyrimidine-5-carboxylic acid Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CC(=C1)C2=NC=C(C(=O)N2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1)C2=NC=C(C(=O)N2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O5/c1-22(2,3)29-21(28)16-11-14(9-10-15(16)13-7-5-4-6-8-13)18-23-12-17(20(26)27)19(25)24-18/h4-12H,1-3H3,(H,26,27)(H,23,24,25)