methyl 4-(4-cyanophenyl)-3-phenyl-butanoate

Systemtic Name: methyl 4-(4-cyanophenyl)-3-phenyl-butanoate Openeye Name: methyl 4-(4-cyanophenyl)-3-phenyl-butanoate CAS Name: 4-(4-cyanophenyl)-3-phenylbutanoic acid methyl ester IUPAC Name: methyl 4-(4-cyanophenyl)-3-phenylbutanoate Traditional Name: 4-(4-cyanophenyl)-3-phenyl-butyric acid methyl ester Formula: C18H17NO2 MolecularWeight: 279.33308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC1=CC=C(C=C1)C#N)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CC(CC1=CC=C(C=C1)C#N)C2=CC=CC=C2

InChI

InChI=1S/C18H17NO2/c1-21-18(20)12-17(16-5-3-2-4-6-16)11-14-7-9-15(13-19)10-8-14/h2-10,17H,11-12H2,1H3