(2-chloranyl-4-cyano-phenyl) 4-(3-methylphenoxy)butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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