5-bromanyl-2-(3-methylbutylamino)benzoic acid

Systemtic Name: 5-bromanyl-2-(3-methylbutylamino)benzoic acid Openeye Name: 5-bromo-2-(isopentylamino)benzoic acid CAS Name: 5-bromo-2-(3-methylbutylamino)benzoic acid IUPAC Name: 5-bromo-2-(3-methylbutylamino)benzoic acid Traditional Name: 5-bromo-2-(isoamylamino)benzoic acid Formula: C12H16BrNO2 MolecularWeight: 286.16494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C=C(C=C1)Br)C(=O)O

Isomeric SMILES

CC(C)CCNC1=C(C=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C12H16BrNO2/c1-8(2)5-6-14-11-4-3-9(13)7-10(11)12(15)16/h3-4,7-8,14H,5-6H2,1-2H3,(H,15,16)