5-butyl-4-[2-(2-methylbutyl)phenyl]pyrimidine-2-carboxylic acid

Systemtic Name: 5-butyl-4-[2-(2-methylbutyl)phenyl]pyrimidine-2-carboxylic acid Openeye Name: 5-butyl-4-[2-(2-methylbutyl)phenyl]pyrimidine-2-carboxylic acid CAS Name: 5-butyl-4-[2-(2-methylbutyl)phenyl]-2-pyrimidinecarboxylic acid IUPAC Name: 5-butyl-4-[2-(2-methylbutyl)phenyl]pyrimidine-2-carboxylic acid Traditional Name: 5-butyl-4-[2-(2-methylbutyl)phenyl]pyrimidine-2-carboxylic acid Formula: C20H26N2O2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1C2=CC=CC=C2CC(C)CC)C(=O)O

Isomeric SMILES

CCCCC1=CN=C(N=C1C2=CC=CC=C2CC(C)CC)C(=O)O

InChI

InChI=1S/C20H26N2O2/c1-4-6-9-16-13-21-19(20(23)24)22-18(16)17-11-8-7-10-15(17)12-14(3)5-2/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,23,24)