1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate

Systemtic Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-4,4-dimethyl-3-oxo-pent-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate CAS Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-4,4-dimethyl-3-oxopent-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylate IUPAC Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-4,4-dimethyl-3-oxopent-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate Traditional Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-3-keto-4,4-dimethyl-pent-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate Formula: C27H28NO4- MolecularWeight: 430.51552

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)[O-])C=CC(=O)C(C)(C)C)C

Isomeric SMILES

CC1(C(C1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)[O-])/C=C/C(=O)C(C)(C)C)C

InChI

InChI=1S/C27H29NO4/c1-25(2,3)23(29)15-14-22-26(4,5)27(22,24(30)31)21(17-28)18-10-9-13-20(16-18)32-19-11-7-6-8-12-19/h6-16,21-22H,1-5H3,(H,30,31)/p-1/b15-14+