(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyano-ethanoate; propane

Systemtic Name: (3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyano-ethanoate; propane Openeye Name: (3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyano-acetate; propane CAS Name: 2-(4-chlorophenyl)-2-cyanoacetic acid (3-phenoxyphenyl)methyl ester; propane IUPAC Name: (3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyanoacetate; propane Traditional Name: 2-(4-chlorophenyl)-2-cyano-acetic acid (3-phenoxybenzyl) ester; n-propane Formula: C25H24ClNO3 MolecularWeight: 421.91596

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Descriptors Computed from Structure

Canonical SMILES:

CCC.C1=CC=C(C=C1)OC2=CC=CC(=C2)COC(=O)C(C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC.C1=CC=C(C=C1)OC2=CC=CC(=C2)COC(=O)C(C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H16ClNO3.C3H8/c23-18-11-9-17(10-12-18)21(14-24)22(25)26-15-16-5-4-8-20(13-16)27-19-6-2-1-3-7-19;1-3-2/h1-13,21H,15H2;3H2,1-2H3