3-bromanyl-4-(2-dimethylaminoethyloxy)-5-methoxy-benzoic acid

Systemtic Name: 3-bromanyl-4-(2-dimethylaminoethyloxy)-5-methoxy-benzoic acid Openeye Name: 3-bromo-4-(2-dimethylaminoethyloxy)-5-methoxy-benzoic acid CAS Name: 3-bromo-4-(2-dimethylaminoethyloxy)-5-methoxybenzoic acid IUPAC Name: 3-bromo-4-(2-dimethylaminoethyloxy)-5-methoxybenzoic acid Traditional Name: 3-bromo-4-(2-dimethylaminoethyloxy)-5-methoxy-benzoic acid Formula: C12H16BrNO4 MolecularWeight: 318.16374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=C(C=C(C=C1Br)C(=O)O)OC

Isomeric SMILES

CN(C)CCOC1=C(C=C(C=C1Br)C(=O)O)OC

InChI

InChI=1S/C12H16BrNO4/c1-14(2)4-5-18-11-9(13)6-8(12(15)16)7-10(11)17-3/h6-7H,4-5H2,1-3H3,(H,15,16)