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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2C(C2(C)C)C(=O)OC(C#N)C3=NC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)[C@@H]2[C@H](C2(C)C)C(=O)OC(C#N)C3=NC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C29H30N2O3/c1-5-19(2)20-14-16-21(17-15-20)26-27(29(26,3)4)28(32)34-24(18-30)23-12-9-13-25(31-23)33-22-10-7-6-8-11-22/h6-17,19,24,26-27H,5H2,1-4H3/t19?,24?,26-,27+/m1/s1