4-[(5-chloranyl-2-hexoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(5-chloranyl-2-hexoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5-chloro-2-hexoxy-phenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(5-chloro-2-hexoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(5-chloro-2-hexoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(5-chloro-2-hexoxy-benzyl)amino]-4-keto-butyric acid Formula: C17H24ClNO4 MolecularWeight: 341.82976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Cl)CNC(=O)CCC(=O)O

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Cl)CNC(=O)CCC(=O)O

InChI

InChI=1S/C17H24ClNO4/c1-2-3-4-5-10-23-15-7-6-14(18)11-13(15)12-19-16(20)8-9-17(21)22/h6-7,11H,2-5,8-10,12H2,1H3,(H,19,20)(H,21,22)