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

Systemtic Name: 2-[2-(4-methoxyphenyl)-4-propan-2-yl-pyrimidin-5-yl]hept-6-enoic acid Openeye Name: 2-[4-isopropyl-2-(4-methoxyphenyl)pyrimidin-5-yl]hept-6-enoic acid CAS Name: 2-[2-(4-methoxyphenyl)-4-propan-2-yl-5-pyrimidinyl]-6-heptenoic acid IUPAC Name: 2-[2-(4-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]hept-6-enoic acid Traditional Name: 2-[4-isopropyl-2-(4-methoxyphenyl)pyrimidin-5-yl]hept-6-enoic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC=C1C(CCCC=C)C(=O)O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C1=NC(=NC=C1C(CCCC=C)C(=O)O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H26N2O3/c1-5-6-7-8-17(21(24)25)18-13-22-20(23-19(18)14(2)3)15-9-11-16(26-4)12-10-15/h5,9-14,17H,1,6-8H2,2-4H3,(H,24,25)