(3-phenoxyphenyl)methyl 2-cyano-2-phenyl-ethanoate; propane

Systemtic Name: (3-phenoxyphenyl)methyl 2-cyano-2-phenyl-ethanoate; propane Openeye Name: (3-phenoxyphenyl)methyl 2-cyano-2-phenyl-acetate; propane CAS Name: 2-cyano-2-phenylacetic acid (3-phenoxyphenyl)methyl ester; propane IUPAC Name: (3-phenoxyphenyl)methyl 2-cyano-2-phenylacetate; propane Traditional Name: 2-cyano-2-phenyl-acetic acid (3-phenoxybenzyl) ester; n-propane Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

CCC.C1=CC=C(C=C1)C(C#N)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCC.C1=CC=C(C=C1)C(C#N)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H17NO3.C3H8/c23-15-21(18-9-3-1-4-10-18)22(24)25-16-17-8-7-13-20(14-17)26-19-11-5-2-6-12-19;1-3-2/h1-14,21H,16H2;3H2,1-2H3