(3-phenoxyphenyl)methyl 2-(4-tert-butylphenyl)-2-cyano-3-methyl-butanoate

Systemtic Name: (3-phenoxyphenyl)methyl 2-(4-tert-butylphenyl)-2-cyano-3-methyl-butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-(4-tert-butylphenyl)-2-cyano-3-methyl-butanoate CAS Name: 2-(4-tert-butylphenyl)-2-cyano-3-methylbutanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-(4-tert-butylphenyl)-2-cyano-3-methylbutanoate Traditional Name: 2-(4-tert-butylphenyl)-2-cyano-3-methyl-butyric acid (3-phenoxybenzyl) ester Formula: C29H31NO3 MolecularWeight: 441.56134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO3/c1-21(2)29(20-30,24-16-14-23(15-17-24)28(3,4)5)27(31)32-19-22-10-9-13-26(18-22)33-25-11-7-6-8-12-25/h6-18,21H,19H2,1-5H3