3-[4-[(3-bromanyl-4-piperazin-1-yl-phenyl)carbonylamino]cyclohexyl]propanoic acid hydrochloride

Systemtic Name: 3-[4-[(3-bromanyl-4-piperazin-1-yl-phenyl)carbonylamino]cyclohexyl]propanoic acid hydrochloride Openeye Name: 3-[4-[(3-bromo-4-piperazin-1-yl-benzoyl)amino]cyclohexyl]propanoic acid hydrochloride CAS Name: 3-[4-[[[3-bromo-4-(1-piperazinyl)phenyl]-oxomethyl]amino]cyclohexyl]propanoic acid hydrochloride IUPAC Name: 3-[4-[(3-bromo-4-piperazin-1-ylbenzoyl)amino]cyclohexyl]propanoic acid hydrochloride Traditional Name: 3-[4-[(3-bromo-4-piperazino-benzoyl)amino]cyclohexyl]propionic acid hydrochloride Formula: C20H29BrClN3O3 MolecularWeight: 474.81956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCC(=O)O)NC(=O)C2=CC(=C(C=C2)N3CCNCC3)Br.Cl

Isomeric SMILES

C1CC(CCC1CCC(=O)O)NC(=O)C2=CC(=C(C=C2)N3CCNCC3)Br.Cl

InChI

InChI=1S/C20H28BrN3O3.ClH/c21-17-13-15(4-7-18(17)24-11-9-22-10-12-24)20(27)23-16-5-1-14(2-6-16)3-8-19(25)26;/h4,7,13-14,16,22H,1-3,5-6,8-12H2,(H,23,27)(H,25,26);1H