3-[(E)-3-butan-2-yloxy-3-oxidanylidene-prop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropane-1-carboxylate

Systemtic Name: 3-[(E)-3-butan-2-yloxy-3-oxidanylidene-prop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[(E)-3-oxo-3-sec-butoxy-prop-1-enyl]cyclopropanecarboxylate CAS Name: 3-[(E)-3-butan-2-yloxy-3-oxoprop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-1-cyclopropanecarboxylate IUPAC Name: 3-[(E)-3-butan-2-yloxy-3-oxoprop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethylcyclopropane-1-carboxylate Traditional Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-3-keto-3-sec-butoxy-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate Formula: C27H28NO5- MolecularWeight: 446.51492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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)OC(=O)/C=C/C1C(C1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)[O-])(C)C

InChI

InChI=1S/C27H29NO5/c1-5-18(2)32-24(29)15-14-23-26(3,4)27(23,25(30)31)22(17-28)19-10-9-13-21(16-19)33-20-11-7-6-8-12-20/h6-16,18,22-23H,5H2,1-4H3,(H,30,31)/p-1/b15-14+