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

Systemtic Name: 5-decyl-4-[4-(2-methylbutyl)phenyl]pyrimidine-2-carboxylic acid Openeye Name: 5-decyl-4-[4-(2-methylbutyl)phenyl]pyrimidine-2-carboxylic acid CAS Name: 5-decyl-4-[4-(2-methylbutyl)phenyl]-2-pyrimidinecarboxylic acid IUPAC Name: 5-decyl-4-[4-(2-methylbutyl)phenyl]pyrimidine-2-carboxylic acid Traditional Name: 5-decyl-4-[4-(2-methylbutyl)phenyl]pyrimidine-2-carboxylic acid Formula: C26H38N2O2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1C2=CC=C(C=C2)CC(C)CC)C(=O)O

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1C2=CC=C(C=C2)CC(C)CC)C(=O)O

InChI

InChI=1S/C26H38N2O2/c1-4-6-7-8-9-10-11-12-13-23-19-27-25(26(29)30)28-24(23)22-16-14-21(15-17-22)18-20(3)5-2/h14-17,19-20H,4-13,18H2,1-3H3,(H,29,30)