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

Systemtic Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[(E)-3-oxidanylidene-3-pentoxy-prop-1-enyl]cyclopropane-1-carboxylic acid Openeye Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[(E)-3-oxo-3-pentoxy-prop-1-enyl]cyclopropanecarboxylic acid CAS Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[(E)-3-oxo-3-pentoxyprop-1-enyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[(E)-3-oxo-3-pentoxyprop-1-enyl]cyclopropane-1-carboxylic acid Traditional Name: 3-[(E)-3-amoxy-3-keto-prop-1-enyl]-1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropanecarboxylic acid Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCOC(=O)/C=C/C1C(C1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)O)(C)C

InChI

InChI=1S/C28H31NO5/c1-4-5-9-17-33-25(30)16-15-24-27(2,3)28(24,26(31)32)23(19-29)20-11-10-14-22(18-20)34-21-12-7-6-8-13-21/h6-8,10-16,18,23-24H,4-5,9,17H2,1-3H3,(H,31,32)/b16-15+