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

Systemtic Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[3-(2-methylpropoxy)-3-oxidanylidene-prop-1-ynyl]cyclopropane-1-carboxylate Openeye Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-(3-isobutoxy-3-oxo-prop-1-ynyl)-2,2-dimethyl-cyclopropanecarboxylate CAS Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[3-(2-methylpropoxy)-3-oxoprop-1-ynyl]-1-cyclopropanecarboxylate IUPAC Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[3-(2-methylpropoxy)-3-oxoprop-1-ynyl]cyclopropane-1-carboxylate Traditional Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-(3-isobutoxy-3-keto-prop-1-ynyl)-2,2-dimethyl-cyclopropanecarboxylate Formula: C27H26NO5- MolecularWeight: 444.49904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO5/c1-18(2)17-32-24(29)14-13-23-26(3,4)27(23,25(30)31)22(16-28)19-9-8-12-21(15-19)33-20-10-6-5-7-11-20/h5-12,15,18,22-23H,17H2,1-4H3,(H,30,31)/p-1