2-bromanyl-3-[4-(2-methylpropyl)phenyl]propanoic acid; cyclohexanamine

Systemtic Name: 2-bromanyl-3-[4-(2-methylpropyl)phenyl]propanoic acid; cyclohexanamine Openeye Name: 2-bromo-3-(4-isobutylphenyl)propanoic acid; cyclohexanamine CAS Name: 2-bromo-3-[4-(2-methylpropyl)phenyl]propanoic acid; cyclohexanamine IUPAC Name: 2-bromo-3-[4-(2-methylpropyl)phenyl]propanoic acid; cyclohexanamine Traditional Name: 2-bromo-3-(4-isobutylphenyl)propionic acid; cyclohexylamine Formula: C19H30BrNO2 MolecularWeight: 384.351

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)CC(C(=O)O)Br.C1CCC(CC1)N

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CC(C(=O)O)Br.C1CCC(CC1)N

InChI

InChI=1S/C13H17BrO2.C6H13N/c1-9(2)7-10-3-5-11(6-4-10)8-12(14)13(15)16;7-6-4-2-1-3-5-6/h3-6,9,12H,7-8H2,1-2H3,(H,15,16);6H,1-5,7H2