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

Systemtic Name: (3-phenoxyphenyl)methyl 2-cyano-2-(4-methoxyphenyl)-3-methyl-butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-cyano-2-(4-methoxyphenyl)-3-methyl-butanoate CAS Name: 2-cyano-2-(4-methoxyphenyl)-3-methylbutanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-cyano-2-(4-methoxyphenyl)-3-methylbutanoate Traditional Name: 2-cyano-2-(4-methoxyphenyl)-3-methyl-butyric acid (3-phenoxybenzyl) ester Formula: C26H25NO4 MolecularWeight: 415.481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO4/c1-19(2)26(18-27,21-12-14-22(29-3)15-13-21)25(28)30-17-20-8-7-11-24(16-20)31-23-9-5-4-6-10-23/h4-16,19H,17H2,1-3H3