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

Systemtic Name: (4-chlorophenyl) 2-cyano-3-methyl-2-[(3-phenoxyphenyl)methyl]butanoate Openeye Name: (4-chlorophenyl) 2-cyano-3-methyl-2-[(3-phenoxyphenyl)methyl]butanoate CAS Name: 2-cyano-3-methyl-2-[(3-phenoxyphenyl)methyl]butanoic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 2-cyano-3-methyl-2-[(3-phenoxyphenyl)methyl]butanoate Traditional Name: 2-cyano-3-methyl-2-(3-phenoxybenzyl)butyric acid (4-chlorophenyl) ester Formula: C25H22ClNO3 MolecularWeight: 419.90008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC1=CC(=CC=C1)OC2=CC=CC=C2)(C#N)C(=O)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C(CC1=CC(=CC=C1)OC2=CC=CC=C2)(C#N)C(=O)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H22ClNO3/c1-18(2)25(17-27,24(28)30-22-13-11-20(26)12-14-22)16-19-7-6-10-23(15-19)29-21-8-4-3-5-9-21/h3-15,18H,16H2,1-2H3