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

Systemtic Name: 2-butyl-1-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-6-oxidanylidene-pyrimidine-5-carboxylic acid Openeye Name: 1-[4-(2-tert-butoxycarbonylphenyl)phenyl]-2-butyl-6-oxo-pyrimidine-5-carboxylic acid CAS Name: 2-butyl-1-[4-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]phenyl]-6-oxo-5-pyrimidinecarboxylic acid IUPAC Name: 2-butyl-1-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-6-oxopyrimidine-5-carboxylic acid Traditional Name: 1-[4-(2-tert-butoxycarbonylphenyl)phenyl]-2-butyl-6-keto-pyrimidine-5-carboxylic acid Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(C(=O)N1C2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(C(=O)N1C2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C26H28N2O5/c1-5-6-11-22-27-16-21(24(30)31)23(29)28(22)18-14-12-17(13-15-18)19-9-7-8-10-20(19)25(32)33-26(2,3)4/h7-10,12-16H,5-6,11H2,1-4H3,(H,30,31)