(3-cyanophenyl) 4-(4-chloranyl-2-methyl-phenoxy)butanoate

Systemtic Name: (3-cyanophenyl) 4-(4-chloranyl-2-methyl-phenoxy)butanoate Openeye Name: (3-cyanophenyl) 4-(4-chloro-2-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-2-methylphenoxy)butanoic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 4-(4-chloro-2-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-2-methyl-phenoxy)butyric acid (3-cyanophenyl) ester Formula: C18H16ClNO3 MolecularWeight: 329.77754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO3/c1-13-10-15(19)7-8-17(13)22-9-3-6-18(21)23-16-5-2-4-14(11-16)12-20/h2,4-5,7-8,10-11H,3,6,9H2,1H3