3-(3-bromanyl-4-pentyl-phenyl)butanoic acid; cyclohexanamine

Systemtic Name: 3-(3-bromanyl-4-pentyl-phenyl)butanoic acid; cyclohexanamine Openeye Name: 3-(3-bromo-4-pentyl-phenyl)butanoic acid; cyclohexanamine CAS Name: 3-(3-bromo-4-pentylphenyl)butanoic acid; cyclohexanamine IUPAC Name: 3-(3-bromo-4-pentylphenyl)butanoic acid; cyclohexanamine Traditional Name: 3-(4-amyl-3-bromo-phenyl)butyric acid; cyclohexylamine Formula: C21H34BrNO2 MolecularWeight: 412.40416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)C(C)CC(=O)O)Br.C1CCC(CC1)N

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)C(C)CC(=O)O)Br.C1CCC(CC1)N

InChI

InChI=1S/C15H21BrO2.C6H13N/c1-3-4-5-6-12-7-8-13(10-14(12)16)11(2)9-15(17)18;7-6-4-2-1-3-5-6/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,18);6H,1-5,7H2