5-bromanyl-2-[[(1S,3R)-3-carboxycyclohexyl]amino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[(1S,3R)-3-carboxycyclohexyl]amino]benzoic acid Openeye Name: 5-bromo-2-[[(1S,3R)-3-carboxycyclohexyl]amino]benzoic acid CAS Name: 5-bromo-2-[[(1S,3R)-3-carboxycyclohexyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[(1S,3R)-3-carboxycyclohexyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[(1S,3R)-3-carboxycyclohexyl]amino]benzoic acid Formula: C14H16BrNO4 MolecularWeight: 342.18514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)NC2=C(C=C(C=C2)Br)C(=O)O)C(=O)O

Isomeric SMILES

C1C[C@H](C[C@H](C1)NC2=C(C=C(C=C2)Br)C(=O)O)C(=O)O

InChI

InChI=1S/C14H16BrNO4/c15-9-4-5-12(11(7-9)14(19)20)16-10-3-1-2-8(6-10)13(17)18/h4-5,7-8,10,16H,1-3,6H2,(H,17,18)(H,19,20)/t8-,10+/m1/s1