2-[2-(4-methylphenyl)pyrimidin-5-yl]-2-propan-2-yl-hept-6-enoic acid

Systemtic Name: 2-[2-(4-methylphenyl)pyrimidin-5-yl]-2-propan-2-yl-hept-6-enoic acid Openeye Name: 2-isopropyl-2-[2-(p-tolyl)pyrimidin-5-yl]hept-6-enoic acid CAS Name: 2-[2-(4-methylphenyl)-5-pyrimidinyl]-2-propan-2-yl-6-heptenoic acid IUPAC Name: 2-[2-(4-methylphenyl)pyrimidin-5-yl]-2-propan-2-ylhept-6-enoic acid Traditional Name: 2-isopropyl-2-[2-(p-tolyl)pyrimidin-5-yl]hept-6-enoic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC=C(C=N2)C(CCCC=C)(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC=C(C=N2)C(CCCC=C)(C(C)C)C(=O)O

InChI

InChI=1S/C21H26N2O2/c1-5-6-7-12-21(15(2)3,20(24)25)18-13-22-19(23-14-18)17-10-8-16(4)9-11-17/h5,8-11,13-15H,1,6-7,12H2,2-4H3,(H,24,25)