1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[3-(2-methylbutan-2-yloxy)-3-oxidanylidene-prop-1-ynyl]cyclopropane-1-carboxylate

Systemtic Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[3-(2-methylbutan-2-yloxy)-3-oxidanylidene-prop-1-ynyl]cyclopropane-1-carboxylate Openeye Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[3-(1,1-dimethylpropoxy)-3-oxo-prop-1-ynyl]-2,2-dimethyl-cyclopropanecarboxylate CAS Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[3-(2-methylbutan-2-yloxy)-3-oxoprop-1-ynyl]-1-cyclopropanecarboxylate IUPAC Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[3-(2-methylbutan-2-yloxy)-3-oxoprop-1-ynyl]cyclopropane-1-carboxylate Traditional Name: 3-(3-tert-amyloxy-3-keto-prop-1-ynyl)-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropanecarboxylate Formula: C28H28NO5- MolecularWeight: 458.52562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC(=O)C#CC1C(C1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)[O-])(C)C

Isomeric SMILES

CCC(C)(C)OC(=O)C#CC1C(C1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)[O-])(C)C

InChI

InChI=1S/C28H29NO5/c1-6-26(2,3)34-24(30)16-15-23-27(4,5)28(23,25(31)32)22(18-29)19-11-10-14-21(17-19)33-20-12-8-7-9-13-20/h7-14,17,22-23H,6H2,1-5H3,(H,31,32)/p-1