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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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