3-[(E)-3-butoxy-3-oxidanylidene-prop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid

Systemtic Name: 3-[(E)-3-butoxy-3-oxidanylidene-prop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid Openeye Name: 3-[(E)-3-butoxy-3-oxo-prop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropanecarboxylic acid CAS Name: 3-[(E)-3-butoxy-3-oxoprop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid IUPAC Name: 3-[(E)-3-butoxy-3-oxoprop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethylcyclopropane-1-carboxylic acid Traditional Name: 3-[(E)-3-butoxy-3-keto-prop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropanecarboxylic acid Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=CC1C(C1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)O)(C)C

Isomeric SMILES

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