1-[cyano-(3-phenoxyphenyl)methyl]-3-[3-(cyclopropylmethoxy)-3-oxidanylidene-prop-1-ynyl]-2,2-dimethyl-cyclopropane-1-carboxylate

Systemtic Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[3-(cyclopropylmethoxy)-3-oxidanylidene-prop-1-ynyl]-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[3-(cyclopropylmethoxy)-3-oxo-prop-1-ynyl]-2,2-dimethyl-cyclopropanecarboxylate CAS Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[3-(cyclopropylmethoxy)-3-oxoprop-1-ynyl]-2,2-dimethyl-1-cyclopropanecarboxylate IUPAC Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[3-(cyclopropylmethoxy)-3-oxoprop-1-ynyl]-2,2-dimethylcyclopropane-1-carboxylate Traditional Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[3-(cyclopropylmethoxy)-3-keto-prop-1-ynyl]-2,2-dimethyl-cyclopropanecarboxylate Formula: C27H24NO5- MolecularWeight: 442.48316

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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)OCC4CC4)C

Isomeric SMILES

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

InChI

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