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

Systemtic Name: 5-methyl-2-(3-methylbutylamino)benzoic acid Openeye Name: 2-(isopentylamino)-5-methyl-benzoic acid CAS Name: 5-methyl-2-(3-methylbutylamino)benzoic acid IUPAC Name: 5-methyl-2-(3-methylbutylamino)benzoic acid Traditional Name: 2-(isoamylamino)-5-methyl-benzoic acid Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCCC(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NCCC(C)C)C(=O)O

InChI

InChI=1S/C13H19NO2/c1-9(2)6-7-14-12-5-4-10(3)8-11(12)13(15)16/h4-5,8-9,14H,6-7H2,1-3H3,(H,15,16)