[cyano-(6-phenoxypyridin-2-yl)methyl] (1R,3R)-3-(2-tert-butylpyrimidin-5-yl)-2,2-dimethyl-cyclopropane-1-carboxylate

Systemtic Name: [cyano-(6-phenoxypyridin-2-yl)methyl] (1R,3R)-3-(2-tert-butylpyrimidin-5-yl)-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: [cyano-(6-phenoxy-2-pyridyl)methyl] (1R,3R)-3-(2-tert-butylpyrimidin-5-yl)-2,2-dimethyl-cyclopropanecarboxylate CAS Name: (1R,3R)-3-(2-tert-butyl-5-pyrimidinyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid [cyano-(6-phenoxy-2-pyridinyl)methyl] ester IUPAC Name: [cyano-(6-phenoxypyridin-2-yl)methyl] (1R,3R)-3-(2-tert-butylpyrimidin-5-yl)-2,2-dimethylcyclopropane-1-carboxylate Traditional Name: (1R,3R)-3-(2-tert-butylpyrimidin-5-yl)-2,2-dimethyl-cyclopropanecarboxylic acid [cyano-(6-phenoxy-2-pyridyl)methyl] ester Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1C(=O)OC(C#N)C2=NC(=CC=C2)OC3=CC=CC=C3)C4=CN=C(N=C4)C(C)(C)C)C

Isomeric SMILES

CC1([C@@H]([C@H]1C(=O)OC(C#N)C2=NC(=CC=C2)OC3=CC=CC=C3)C4=CN=C(N=C4)C(C)(C)C)C

InChI

InChI=1S/C27H28N4O3/c1-26(2,3)25-29-15-17(16-30-25)22-23(27(22,4)5)24(32)34-20(14-28)19-12-9-13-21(31-19)33-18-10-7-6-8-11-18/h6-13,15-16,20,22-23H,1-5H3/t20?,22-,23+/m1/s1