1-[2-(4-cyanophenyl)pyrimidin-5-yl]-4-hexyl-cyclohexane-1-carboxylate

Systemtic Name: 1-[2-(4-cyanophenyl)pyrimidin-5-yl]-4-hexyl-cyclohexane-1-carboxylate Openeye Name: 1-[2-(4-cyanophenyl)pyrimidin-5-yl]-4-hexyl-cyclohexanecarboxylate CAS Name: 1-[2-(4-cyanophenyl)-5-pyrimidinyl]-4-hexyl-1-cyclohexanecarboxylate IUPAC Name: 1-[2-(4-cyanophenyl)pyrimidin-5-yl]-4-hexylcyclohexane-1-carboxylate Traditional Name: 1-[2-(4-cyanophenyl)pyrimidin-5-yl]-4-hexyl-cyclohexanecarboxylate Formula: C24H28N3O2- MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)(C2=CN=C(N=C2)C3=CC=C(C=C3)C#N)C(=O)[O-]

Isomeric SMILES

CCCCCCC1CCC(CC1)(C2=CN=C(N=C2)C3=CC=C(C=C3)C#N)C(=O)[O-]

InChI

InChI=1S/C24H29N3O2/c1-2-3-4-5-6-18-11-13-24(14-12-18,23(28)29)21-16-26-22(27-17-21)20-9-7-19(15-25)8-10-20/h7-10,16-18H,2-6,11-14H2,1H3,(H,28,29)/p-1