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

Systemtic Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[(E)-3-oxidanylidene-3-propan-2-yloxy-prop-1-enyl]cyclopropane-1-carboxylic acid Openeye Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-3-isopropoxy-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid CAS Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[(E)-3-oxo-3-propan-2-yloxyprop-1-enyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[(E)-3-oxo-3-propan-2-yloxyprop-1-enyl]cyclopropane-1-carboxylic acid Traditional Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-3-isopropoxy-3-keto-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid Formula: C26H27NO5 MolecularWeight: 433.49628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(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/C26H27NO5/c1-17(2)31-23(28)14-13-22-25(3,4)26(22,24(29)30)21(16-27)18-9-8-12-20(15-18)32-19-10-6-5-7-11-19/h5-15,17,21-22H,1-4H3,(H,29,30)/b14-13+