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

Systemtic Name: 2-azanyl-5-bromanyl-3-[[cyclohexyl(ethyl)amino]methyl]benzoic acid Openeye Name: 2-amino-5-bromo-3-[[cyclohexyl(ethyl)amino]methyl]benzoic acid CAS Name: 2-amino-5-bromo-3-[[cyclohexyl(ethyl)amino]methyl]benzoic acid IUPAC Name: 2-amino-5-bromo-3-[[cyclohexyl(ethyl)amino]methyl]benzoic acid Traditional Name: 2-amino-5-bromo-3-[[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)Br)C(=O)O)N)C2CCCCC2

Isomeric SMILES

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

InChI

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