methyl 2-cyano-2-(3-phenoxyphenyl)butanoate

Systemtic Name: methyl 2-cyano-2-(3-phenoxyphenyl)butanoate Openeye Name: methyl 2-cyano-2-(3-phenoxyphenyl)butanoate CAS Name: 2-cyano-2-(3-phenoxyphenyl)butanoic acid methyl ester IUPAC Name: methyl 2-cyano-2-(3-phenoxyphenyl)butanoate Traditional Name: 2-cyano-2-(3-phenoxyphenyl)butyric acid methyl ester Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO3/c1-3-18(13-19,17(20)21-2)14-8-7-11-16(12-14)22-15-9-5-4-6-10-15/h4-12H,3H2,1-2H3