methyl 4-[4-(1-chloroethyl)phenyl]butanoate

Systemtic Name: methyl 4-[4-(1-chloroethyl)phenyl]butanoate Openeye Name: methyl 4-[4-(1-chloroethyl)phenyl]butanoate CAS Name: 4-[4-(1-chloroethyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(1-chloroethyl)phenyl]butanoate Traditional Name: 4-[4-(1-chloroethyl)phenyl]butyric acid methyl ester Formula: C13H17ClO2 MolecularWeight: 240.72588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)CCCC(=O)OC)Cl

Isomeric SMILES

CC(C1=CC=C(C=C1)CCCC(=O)OC)Cl

InChI

InChI=1S/C13H17ClO2/c1-10(14)12-8-6-11(7-9-12)4-3-5-13(15)16-2/h6-10H,3-5H2,1-2H3