(3-phenoxyphenyl)methyl 2-cyano-2-(4-ethoxyphenyl)-3-methyl-butanoate

Systemtic Name: (3-phenoxyphenyl)methyl 2-cyano-2-(4-ethoxyphenyl)-3-methyl-butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-cyano-2-(4-ethoxyphenyl)-3-methyl-butanoate CAS Name: 2-cyano-2-(4-ethoxyphenyl)-3-methylbutanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-cyano-2-(4-ethoxyphenyl)-3-methylbutanoate Traditional Name: 2-cyano-3-methyl-2-p-phenetyl-butyric acid (3-phenoxybenzyl) ester Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C#N)(C(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C#N)(C(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C27H27NO4/c1-4-30-23-15-13-22(14-16-23)27(19-28,20(2)3)26(29)31-18-21-9-8-12-25(17-21)32-24-10-6-5-7-11-24/h5-17,20H,4,18H2,1-3H3