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

Systemtic Name: 4-[(5-chloranyl-2-pentoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5-chloro-2-pentoxy-phenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(5-chloro-2-pentoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(5-chloro-2-pentoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(2-amoxy-5-chloro-benzyl)amino]-4-keto-butyric acid Formula: C16H22ClNO4 MolecularWeight: 327.80318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)Cl)CNC(=O)CCC(=O)O

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)Cl)CNC(=O)CCC(=O)O

InChI

InChI=1S/C16H22ClNO4/c1-2-3-4-9-22-14-6-5-13(17)10-12(14)11-18-15(19)7-8-16(20)21/h5-6,10H,2-4,7-9,11H2,1H3,(H,18,19)(H,20,21)