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

Systemtic Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[3-(1-methylcyclopentyl)oxy-3-oxidanylidene-prop-1-ynyl]cyclopropane-1-carboxylate Openeye Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[3-(1-methylcyclopentoxy)-3-oxo-prop-1-ynyl]cyclopropanecarboxylate CAS Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[3-(1-methylcyclopentyl)oxy-3-oxoprop-1-ynyl]-1-cyclopropanecarboxylate IUPAC Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[3-(1-methylcyclopentyl)oxy-3-oxoprop-1-ynyl]cyclopropane-1-carboxylate Traditional Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[3-keto-3-(1-methylcyclopentoxy)prop-1-ynyl]-2,2-dimethyl-cyclopropanecarboxylate Formula: C29H28NO5- MolecularWeight: 470.53632

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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(CCCC4)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(CCCC4)C)C

InChI

InChI=1S/C29H29NO5/c1-27(2)24(14-15-25(31)35-28(3)16-7-8-17-28)29(27,26(32)33)23(19-30)20-10-9-13-22(18-20)34-21-11-5-4-6-12-21/h4-6,9-13,18,23-24H,7-8,16-17H2,1-3H3,(H,32,33)/p-1