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

Systemtic Name: (3-phenoxyphenyl)methyl 2-cyano-3-methyl-2-(4-methylphenyl)butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-cyano-3-methyl-2-(p-tolyl)butanoate CAS Name: 2-cyano-3-methyl-2-(4-methylphenyl)butanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-cyano-3-methyl-2-(4-methylphenyl)butanoate Traditional Name: 2-cyano-3-methyl-2-(p-tolyl)butyric acid (3-phenoxybenzyl) ester Formula: C26H25NO3 MolecularWeight: 399.4816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C#N)(C(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(C#N)(C(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C26H25NO3/c1-19(2)26(18-27,22-14-12-20(3)13-15-22)25(28)29-17-21-8-7-11-24(16-21)30-23-9-5-4-6-10-23/h4-16,19H,17H2,1-3H3