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

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-tert-butylphenoxy)-3-methyl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-tert-butylphenoxy)-3-methyl-butanoate CAS Name: 2-(4-tert-butylphenoxy)-3-methylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-tert-butylphenoxy)-3-methylbutanoate Traditional Name: 2-(4-tert-butylphenoxy)-3-methyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C29H31NO4/c1-20(2)27(33-24-16-14-22(15-17-24)29(3,4)5)28(31)34-26(19-30)21-10-9-13-25(18-21)32-23-11-7-6-8-12-23/h6-18,20,26-27H,1-5H3