4-azanyl-3-bromanyl-5-(pyrrolidin-1-ylmethyl)benzoic acid

Systemtic Name: 4-azanyl-3-bromanyl-5-(pyrrolidin-1-ylmethyl)benzoic acid Openeye Name: 4-amino-3-bromo-5-(pyrrolidin-1-ylmethyl)benzoic acid CAS Name: 4-amino-3-bromo-5-(1-pyrrolidinylmethyl)benzoic acid IUPAC Name: 4-amino-3-bromo-5-(pyrrolidin-1-ylmethyl)benzoic acid Traditional Name: 4-amino-3-bromo-5-(pyrrolidinomethyl)benzoic acid Formula: C12H15BrN2O2 MolecularWeight: 299.1637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=C(C(=CC(=C2)C(=O)O)Br)N

Isomeric SMILES

C1CCN(C1)CC2=C(C(=CC(=C2)C(=O)O)Br)N

InChI

InChI=1S/C12H15BrN2O2/c13-10-6-8(12(16)17)5-9(11(10)14)7-15-3-1-2-4-15/h5-6H,1-4,7,14H2,(H,16,17)