[cyano-(6-phenoxypyridin-2-yl)methyl] (1R,3R)-3-(4-tert-butylphenyl)-2,2-dimethyl-cyclopropane-1-carboxylate

Systemtic Name: [cyano-(6-phenoxypyridin-2-yl)methyl] (1R,3R)-3-(4-tert-butylphenyl)-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: [cyano-(6-phenoxy-2-pyridyl)methyl] (1R,3R)-3-(4-tert-butylphenyl)-2,2-dimethyl-cyclopropanecarboxylate CAS Name: (1R,3R)-3-(4-tert-butylphenyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid [cyano-(6-phenoxy-2-pyridinyl)methyl] ester IUPAC Name: [cyano-(6-phenoxypyridin-2-yl)methyl] (1R,3R)-3-(4-tert-butylphenyl)-2,2-dimethylcyclopropane-1-carboxylate Traditional Name: (1R,3R)-3-(4-tert-butylphenyl)-2,2-dimethyl-cyclopropanecarboxylic acid [cyano-(6-phenoxy-2-pyridyl)methyl] ester Formula: C29H30N2O3 MolecularWeight: 454.5601

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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=CC=C(C=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=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C29H30N2O3/c1-28(2,3)20-16-14-19(15-17-20)25-26(29(25,4)5)27(32)34-23(18-30)22-12-9-13-24(31-22)33-21-10-7-6-8-11-21/h6-17,23,25-26H,1-5H3/t23?,25-,26+/m1/s1