3-bromanyl-4-(diethylaminomethyl)benzoic acid

Systemtic Name: 3-bromanyl-4-(diethylaminomethyl)benzoic acid Openeye Name: 3-bromo-4-(diethylaminomethyl)benzoic acid CAS Name: 3-bromo-4-(diethylaminomethyl)benzoic acid IUPAC Name: 3-bromo-4-(diethylaminomethyl)benzoic acid Traditional Name: 3-bromo-4-(diethylaminomethyl)benzoic acid Formula: C12H16BrNO2 MolecularWeight: 286.16494

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=C(C=C1)C(=O)O)Br

Isomeric SMILES

CCN(CC)CC1=C(C=C(C=C1)C(=O)O)Br

InChI

InChI=1S/C12H16BrNO2/c1-3-14(4-2)8-10-6-5-9(12(15)16)7-11(10)13/h5-7H,3-4,8H2,1-2H3,(H,15,16)