4-[[4-bromanyl-2-(diethylaminomethyl)phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-bromanyl-2-(diethylaminomethyl)phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-bromo-2-(diethylaminomethyl)phenoxy]methyl]benzoic acid CAS Name: 4-[[4-bromo-2-(diethylaminomethyl)phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-bromo-2-(diethylaminomethyl)phenoxy]methyl]benzoic acid Traditional Name: 4-[[4-bromo-2-(diethylaminomethyl)phenoxy]methyl]benzoic acid Formula: C19H22BrNO3 MolecularWeight: 392.28688

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=CC(=C1)Br)OCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCN(CC)CC1=C(C=CC(=C1)Br)OCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H22BrNO3/c1-3-21(4-2)12-16-11-17(20)9-10-18(16)24-13-14-5-7-15(8-6-14)19(22)23/h5-11H,3-4,12-13H2,1-2H3,(H,22,23)