4-[5-(9-methyldecyl)pyrimidin-2-yl]benzoic acid

Systemtic Name: 4-[5-(9-methyldecyl)pyrimidin-2-yl]benzoic acid Openeye Name: 4-[5-(9-methyldecyl)pyrimidin-2-yl]benzoic acid CAS Name: 4-[5-(9-methyldecyl)-2-pyrimidinyl]benzoic acid IUPAC Name: 4-[5-(9-methyldecyl)pyrimidin-2-yl]benzoic acid Traditional Name: 4-[5-(9-methyldecyl)pyrimidin-2-yl]benzoic acid Formula: C22H30N2O2 MolecularWeight: 354.4858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C22H30N2O2/c1-17(2)9-7-5-3-4-6-8-10-18-15-23-21(24-16-18)19-11-13-20(14-12-19)22(25)26/h11-17H,3-10H2,1-2H3,(H,25,26)