4-[(3-chloranyl-4-propan-2-yloxy-phenyl)methylamino]benzoic acid

Systemtic Name: 4-[(3-chloranyl-4-propan-2-yloxy-phenyl)methylamino]benzoic acid Openeye Name: 4-[(3-chloro-4-isopropoxy-phenyl)methylamino]benzoic acid CAS Name: 4-[(3-chloro-4-propan-2-yloxyphenyl)methylamino]benzoic acid IUPAC Name: 4-[(3-chloro-4-propan-2-yloxyphenyl)methylamino]benzoic acid Traditional Name: 4-[(3-chloro-4-isopropoxy-benzyl)amino]benzoic acid Formula: C17H18ClNO3 MolecularWeight: 319.78272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)CNC2=CC=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)CNC2=CC=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C17H18ClNO3/c1-11(2)22-16-8-3-12(9-15(16)18)10-19-14-6-4-13(5-7-14)17(20)21/h3-9,11,19H,10H2,1-2H3,(H,20,21)