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

Systemtic Name: (4-chlorophenyl) 2-[cyano(phenyl)methyl]-3-methyl-2-(3-phenoxyphenyl)butanoate Openeye Name: (4-chlorophenyl) 2-[cyano(phenyl)methyl]-3-methyl-2-(3-phenoxyphenyl)butanoate CAS Name: 2-[cyano(phenyl)methyl]-3-methyl-2-(3-phenoxyphenyl)butanoic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 2-[cyano(phenyl)methyl]-3-methyl-2-(3-phenoxyphenyl)butanoate Traditional Name: 2-[cyano(phenyl)methyl]-3-methyl-2-(3-phenoxyphenyl)butyric acid (4-chlorophenyl) ester Formula: C31H26ClNO3 MolecularWeight: 495.99604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC(=CC=C1)OC2=CC=CC=C2)(C(C#N)C3=CC=CC=C3)C(=O)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C(C1=CC(=CC=C1)OC2=CC=CC=C2)(C(C#N)C3=CC=CC=C3)C(=O)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C31H26ClNO3/c1-22(2)31(29(21-33)23-10-5-3-6-11-23,30(34)36-27-18-16-25(32)17-19-27)24-12-9-15-28(20-24)35-26-13-7-4-8-14-26/h3-20,22,29H,1-2H3