1-[2-(2-azanylethyl)-3-chloranyl-4-oxidanyl-phenyl]hexan-1-one

Systemtic Name: 1-[2-(2-azanylethyl)-3-chloranyl-4-oxidanyl-phenyl]hexan-1-one Openeye Name: 1-[2-(2-aminoethyl)-3-chloro-4-hydroxy-phenyl]hexan-1-one CAS Name: 1-[2-(2-aminoethyl)-3-chloro-4-hydroxyphenyl]-1-hexanone IUPAC Name: 1-[2-(2-aminoethyl)-3-chloro-4-hydroxyphenyl]hexan-1-one Traditional Name: 1-[2-(2-aminoethyl)-3-chloro-4-hydroxy-phenyl]hexan-1-one Formula: C14H20ClNO2 MolecularWeight: 269.7671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(C(=C(C=C1)O)Cl)CCN

Isomeric SMILES

CCCCCC(=O)C1=C(C(=C(C=C1)O)Cl)CCN

InChI

InChI=1S/C14H20ClNO2/c1-2-3-4-5-12(17)10-6-7-13(18)14(15)11(10)8-9-16/h6-7,18H,2-5,8-9,16H2,1H3