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

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-hexoxy-2,3,3-trimethyl-cyclopropane-1-carboxylate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-hexoxy-2,3,3-trimethyl-cyclopropanecarboxylate CAS Name: 2-hexoxy-2,3,3-trimethyl-1-cyclopropanecarboxylic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-hexoxy-2,3,3-trimethylcyclopropane-1-carboxylate Traditional Name: 2-hexoxy-2,3,3-trimethyl-cyclopropanecarboxylic acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C27H33NO4 MolecularWeight: 435.55522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C

Isomeric SMILES

CCCCCCOC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C27H33NO4/c1-5-6-7-11-17-30-27(4)24(26(27,2)3)25(29)32-23(19-28)20-13-12-16-22(18-20)31-21-14-9-8-10-15-21/h8-10,12-16,18,23-24H,5-7,11,17H2,1-4H3