4-[(4-butoxy-3-chloranyl-5-methoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-butoxy-3-chloranyl-5-methoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(4-butoxy-3-chloro-5-methoxy-phenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(4-butoxy-3-chloro-5-methoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(4-butoxy-3-chloro-5-methoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(4-butoxy-3-chloro-5-methoxy-benzyl)amino]-4-keto-butyric acid Formula: C16H22ClNO5 MolecularWeight: 343.80258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)CNC(=O)CCC(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)CNC(=O)CCC(=O)O)OC

InChI

InChI=1S/C16H22ClNO5/c1-3-4-7-23-16-12(17)8-11(9-13(16)22-2)10-18-14(19)5-6-15(20)21/h8-9H,3-7,10H2,1-2H3,(H,18,19)(H,20,21)