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

Systemtic Name: [3-(4-ethynylphenoxy)phenyl]methyl 2-(4-chlorophenyl)-2-cyano-3-methyl-butanoate Openeye Name: [3-(4-ethynylphenoxy)phenyl]methyl 2-(4-chlorophenyl)-2-cyano-3-methyl-butanoate CAS Name: 2-(4-chlorophenyl)-2-cyano-3-methylbutanoic acid [3-(4-ethynylphenoxy)phenyl]methyl ester IUPAC Name: [3-(4-ethynylphenoxy)phenyl]methyl 2-(4-chlorophenyl)-2-cyano-3-methylbutanoate Traditional Name: 2-(4-chlorophenyl)-2-cyano-3-methyl-butyric acid [3-(4-ethynylphenoxy)benzyl] ester Formula: C27H22ClNO3 MolecularWeight: 443.92148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClNO3/c1-4-20-8-14-24(15-9-20)32-25-7-5-6-21(16-25)17-31-26(30)27(18-29,19(2)3)22-10-12-23(28)13-11-22/h1,5-16,19H,17H2,2-3H3