[2-(4-heptoxyphenyl)pyrimidin-5-yl] 2,2-dimethylcyclopropane-1-carboxylate

Systemtic Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] 2,2-dimethylcyclopropane-1-carboxylate Openeye Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] 2,2-dimethylcyclopropanecarboxylate CAS Name: 2,2-dimethyl-1-cyclopropanecarboxylic acid [2-(4-heptoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] 2,2-dimethylcyclopropane-1-carboxylate Traditional Name: 2,2-dimethylcyclopropanecarboxylic acid [2-(4-heptoxyphenyl)pyrimidin-5-yl] ester Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CC3(C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CC3(C)C

InChI

InChI=1S/C23H30N2O3/c1-4-5-6-7-8-13-27-18-11-9-17(10-12-18)21-24-15-19(16-25-21)28-22(26)20-14-23(20,2)3/h9-12,15-16,20H,4-8,13-14H2,1-3H3