3-bromanyl-4-[(3,5-dimethylpiperazin-1-yl)methyl]benzoic acid

Systemtic Name: 3-bromanyl-4-[(3,5-dimethylpiperazin-1-yl)methyl]benzoic acid Openeye Name: 3-bromo-4-[(3,5-dimethylpiperazin-1-yl)methyl]benzoic acid CAS Name: 3-bromo-4-[(3,5-dimethyl-1-piperazinyl)methyl]benzoic acid IUPAC Name: 3-bromo-4-[(3,5-dimethylpiperazin-1-yl)methyl]benzoic acid Traditional Name: 3-bromo-4-[(3,5-dimethylpiperazino)methyl]benzoic acid Formula: C14H19BrN2O2 MolecularWeight: 327.21686

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)CC2=C(C=C(C=C2)C(=O)O)Br

Isomeric SMILES

CC1CN(CC(N1)C)CC2=C(C=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C14H19BrN2O2/c1-9-6-17(7-10(2)16-9)8-12-4-3-11(14(18)19)5-13(12)15/h3-5,9-10,16H,6-8H2,1-2H3,(H,18,19)