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

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-(2-tert-butylpyrimidin-5-yl)-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: [cyano-(3-phenoxyphenyl)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-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)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-(3-phenoxyphenyl)methyl] ester Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H29N3O3/c1-27(2,3)26-30-16-19(17-31-26)23-24(28(23,4)5)25(32)34-22(15-29)18-10-9-13-21(14-18)33-20-11-7-6-8-12-20/h6-14,16-17,22-24H,1-5H3/t22?,23-,24+/m1/s1