3-bromanyl-4-(2-diethylaminoethyloxy)benzoic acid

Systemtic Name: 3-bromanyl-4-(2-diethylaminoethyloxy)benzoic acid Openeye Name: 3-bromo-4-(2-diethylaminoethyloxy)benzoic acid CAS Name: 3-bromo-4-(2-diethylaminoethyloxy)benzoic acid IUPAC Name: 3-bromo-4-(2-diethylaminoethyloxy)benzoic acid Traditional Name: 3-bromo-4-(2-diethylaminoethyloxy)benzoic acid Formula: C13H18BrNO3 MolecularWeight: 316.19092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C=C(C=C1)C(=O)O)Br

Isomeric SMILES

CCN(CC)CCOC1=C(C=C(C=C1)C(=O)O)Br

InChI

InChI=1S/C13H18BrNO3/c1-3-15(4-2)7-8-18-12-6-5-10(13(16)17)9-11(12)14/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)