4-azanyl-3-bromanyl-5-[[(4-oxidanylcyclohexyl)amino]methyl]benzoic acid

Systemtic Name: 4-azanyl-3-bromanyl-5-[[(4-oxidanylcyclohexyl)amino]methyl]benzoic acid Openeye Name: 4-amino-3-bromo-5-[[(4-hydroxycyclohexyl)amino]methyl]benzoic acid CAS Name: 4-amino-3-bromo-5-[[(4-hydroxycyclohexyl)amino]methyl]benzoic acid IUPAC Name: 4-amino-3-bromo-5-[[(4-hydroxycyclohexyl)amino]methyl]benzoic acid Traditional Name: 4-amino-3-bromo-5-[[(4-hydroxycyclohexyl)amino]methyl]benzoic acid Formula: C14H19BrN2O3 MolecularWeight: 343.21626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCC2=C(C(=CC(=C2)C(=O)O)Br)N)O

Isomeric SMILES

C1CC(CCC1NCC2=C(C(=CC(=C2)C(=O)O)Br)N)O

InChI

InChI=1S/C14H19BrN2O3/c15-12-6-8(14(19)20)5-9(13(12)16)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2,(H,19,20)