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

Systemtic Name: 2-butyl-4,6-dimethyl-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-4H-pyrimidine-5-carboxylic acid Openeye Name: 3-[4-(2-tert-butoxycarbonylphenyl)phenyl]-2-butyl-4,6-dimethyl-4H-pyrimidine-5-carboxylic acid CAS Name: 2-butyl-4,6-dimethyl-3-[4-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]phenyl]-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-butyl-4,6-dimethyl-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-4H-pyrimidine-5-carboxylic acid Traditional Name: 3-[4-(2-tert-butoxycarbonylphenyl)phenyl]-2-butyl-4,6-dimethyl-4H-pyrimidine-5-carboxylic acid Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O4/c1-7-8-13-24-29-18(2)25(26(31)32)19(3)30(24)21-16-14-20(15-17-21)22-11-9-10-12-23(22)27(33)34-28(4,5)6/h9-12,14-17,19H,7-8,13H2,1-6H3,(H,31,32)