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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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