[cyano-(3-phenoxyphenyl)methyl] 3-hexoxy-2,2-dimethyl-cyclopropane-1-carboxylate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 3-hexoxy-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 3-hexoxy-2,2-dimethyl-cyclopropanecarboxylate CAS Name: 3-hexoxy-2,2-dimethyl-1-cyclopropanecarboxylic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 3-hexoxy-2,2-dimethylcyclopropane-1-carboxylate Traditional Name: 3-hexoxy-2,2-dimethyl-cyclopropanecarboxylic acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C26H31NO4/c1-4-5-6-10-16-29-24-23(26(24,2)3)25(28)31-22(18-27)19-12-11-15-21(17-19)30-20-13-8-7-9-14-20/h7-9,11-15,17,22-24H,4-6,10,16H2,1-3H3