2-[[(2R)-2-azanyl-3-cyclohexyl-propyl]amino]-5-bromanyl-benzoic acid

Systemtic Name: 2-[[(2R)-2-azanyl-3-cyclohexyl-propyl]amino]-5-bromanyl-benzoic acid Openeye Name: 2-[[(2R)-2-amino-3-cyclohexyl-propyl]amino]-5-bromo-benzoic acid CAS Name: 2-[[(2R)-2-amino-3-cyclohexylpropyl]amino]-5-bromobenzoic acid IUPAC Name: 2-[[(2R)-2-amino-3-cyclohexylpropyl]amino]-5-bromobenzoic acid Traditional Name: 2-[[(2R)-2-amino-3-cyclohexyl-propyl]amino]-5-bromo-benzoic acid Formula: C16H23BrN2O2 MolecularWeight: 355.27002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(CNC2=C(C=C(C=C2)Br)C(=O)O)N

Isomeric SMILES

C1CCC(CC1)C[C@H](CNC2=C(C=C(C=C2)Br)C(=O)O)N

InChI

InChI=1S/C16H23BrN2O2/c17-12-6-7-15(14(9-12)16(20)21)19-10-13(18)8-11-4-2-1-3-5-11/h6-7,9,11,13,19H,1-5,8,10,18H2,(H,20,21)/t13-/m1/s1