4-[(3-chloranyl-4,5-diethoxy-phenyl)methylamino]benzoic acid

Systemtic Name: 4-[(3-chloranyl-4,5-diethoxy-phenyl)methylamino]benzoic acid Openeye Name: 4-[(3-chloro-4,5-diethoxy-phenyl)methylamino]benzoic acid CAS Name: 4-[(3-chloro-4,5-diethoxyphenyl)methylamino]benzoic acid IUPAC Name: 4-[(3-chloro-4,5-diethoxyphenyl)methylamino]benzoic acid Traditional Name: 4-[(3-chloro-4,5-diethoxy-benzyl)amino]benzoic acid Formula: C18H20ClNO4 MolecularWeight: 349.8087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)C(=O)O)Cl)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)C(=O)O)Cl)OCC

InChI

InChI=1S/C18H20ClNO4/c1-3-23-16-10-12(9-15(19)17(16)24-4-2)11-20-14-7-5-13(6-8-14)18(21)22/h5-10,20H,3-4,11H2,1-2H3,(H,21,22)