1-(cyano-phenoxy-phenyl-methyl)-3-[3-(cyclopropylmethoxy)-3-oxidanylidene-prop-1-ynyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid

Systemtic Name: 1-(cyano-phenoxy-phenyl-methyl)-3-[3-(cyclopropylmethoxy)-3-oxidanylidene-prop-1-ynyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid Openeye Name: 1-(cyano-phenoxy-phenyl-methyl)-3-[3-(cyclopropylmethoxy)-3-oxo-prop-1-ynyl]-2,2-dimethyl-cyclopropanecarboxylic acid CAS Name: 1-(cyano-phenoxy-phenylmethyl)-3-[3-(cyclopropylmethoxy)-3-oxoprop-1-ynyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid IUPAC Name: 1-(cyano-phenoxy-phenylmethyl)-3-[3-(cyclopropylmethoxy)-3-oxoprop-1-ynyl]-2,2-dimethylcyclopropane-1-carboxylic acid Traditional Name: 1-(cyano-phenoxy-phenyl-methyl)-3-[3-(cyclopropylmethoxy)-3-keto-prop-1-ynyl]-2,2-dimethyl-cyclopropanecarboxylic acid Formula: C27H25NO5 MolecularWeight: 443.4911

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1(C(=O)O)C(C#N)(C2=CC=CC=C2)OC3=CC=CC=C3)C#CC(=O)OCC4CC4)C

Isomeric SMILES

CC1(C(C1(C(=O)O)C(C#N)(C2=CC=CC=C2)OC3=CC=CC=C3)C#CC(=O)OCC4CC4)C

InChI

InChI=1S/C27H25NO5/c1-25(2)22(15-16-23(29)32-17-19-13-14-19)27(25,24(30)31)26(18-28,20-9-5-3-6-10-20)33-21-11-7-4-8-12-21/h3-12,19,22H,13-14,17H2,1-2H3,(H,30,31)