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

Systemtic Name: (3-phenoxyphenyl)methyl (1R,3R)-3-(2-tert-butylpyrimidin-5-yl)-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: (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 (3-phenoxyphenyl)methyl ester IUPAC Name: (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 (3-phenoxybenzyl) ester Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1C(=O)OCC2=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)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C4=CN=C(N=C4)C(C)(C)C)C

InChI

InChI=1S/C27H30N2O3/c1-26(2,3)25-28-15-19(16-29-25)22-23(27(22,4)5)24(30)31-17-18-10-9-13-21(14-18)32-20-11-7-6-8-12-20/h6-16,22-23H,17H2,1-5H3/t22-,23+/m1/s1