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

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

Systemtic Name:5-dodecyl-4-[4-(2-methylbutyl)phenyl]pyrimidine-2-carboxylic acid
Openeye Name:5-dodecyl-4-[4-(2-methylbutyl)phenyl]pyrimidine-2-carboxylic acid
CAS Name:5-dodecyl-4-[4-(2-methylbutyl)phenyl]-2-pyrimidinecarboxylic acid
IUPAC Name:5-dodecyl-4-[4-(2-methylbutyl)phenyl]pyrimidine-2-carboxylic acid
Traditional Name:5-lauryl-4-[4-(2-methylbutyl)phenyl]pyrimidine-2-carboxylic acid
Formula: C28H42N2O2
MolecularWeight: 438.64528
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1C2=CC=C(C=C2)CC(C)CC)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1C2=CC=C(C=C2)CC(C)CC)C(=O)O


InChI

InChI=1S/C28H42N2O2/c1-4-6-7-8-9-10-11-12-13-14-15-25-21-29-27(28(31)32)30-26(25)24-18-16-23(17-19-24)20-22(3)5-2/h16-19,21-22H,4-15,20H2,1-3H3,(H,31,32)


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