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

Systemtic Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[3-(1-methylcyclobutyl)oxy-3-oxidanylidene-prop-1-ynyl]cyclopropane-1-carboxylate Openeye Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[3-(1-methylcyclobutoxy)-3-oxo-prop-1-ynyl]cyclopropanecarboxylate CAS Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[3-(1-methylcyclobutyl)oxy-3-oxoprop-1-ynyl]-1-cyclopropanecarboxylate IUPAC Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[3-(1-methylcyclobutyl)oxy-3-oxoprop-1-ynyl]cyclopropane-1-carboxylate Traditional Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[3-keto-3-(1-methylcyclobutoxy)prop-1-ynyl]-2,2-dimethyl-cyclopropanecarboxylate Formula: C28H26NO5- MolecularWeight: 456.50974

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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)OC4(CCC4)C)C

Isomeric SMILES

CC1(C(C1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)[O-])C#CC(=O)OC4(CCC4)C)C

InChI

InChI=1S/C28H27NO5/c1-26(2)23(13-14-24(30)34-27(3)15-8-16-27)28(26,25(31)32)22(18-29)19-9-7-12-21(17-19)33-20-10-5-4-6-11-20/h4-7,9-12,17,22-23H,8,15-16H2,1-3H3,(H,31,32)/p-1