4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoic acid

Systemtic Name: 4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoic acid Openeye Name: 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoic acid CAS Name: 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoic acid IUPAC Name: 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoic acid Traditional Name: 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoic acid Formula: C16H23BrN2O2 MolecularWeight: 355.27002

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C(=CC(=C1)C(=O)O)Br)N)C2CCCCC2

Isomeric SMILES

CCN(CC1=C(C(=CC(=C1)C(=O)O)Br)N)C2CCCCC2

InChI

InChI=1S/C16H23BrN2O2/c1-2-19(13-6-4-3-5-7-13)10-12-8-11(16(20)21)9-14(17)15(12)18/h8-9,13H,2-7,10,18H2,1H3,(H,20,21)