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

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-ethoxyphenyl)-3-methyl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-ethoxyphenyl)-3-methyl-butanoate CAS Name: 2-(4-ethoxyphenyl)-3-methylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-(4-ethoxyphenyl)-3-methylbutanoate Traditional Name: 3-methyl-2-p-phenetyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C27H27NO4/c1-4-30-22-15-13-20(14-16-22)26(19(2)3)27(29)32-25(18-28)21-9-8-12-24(17-21)31-23-10-6-5-7-11-23/h5-17,19,25-26H,4H2,1-3H3