3-methyl-4-(3-methylbutylamino)benzoic acid

Systemtic Name: 3-methyl-4-(3-methylbutylamino)benzoic acid Openeye Name: 4-(isopentylamino)-3-methyl-benzoic acid CAS Name: 3-methyl-4-(3-methylbutylamino)benzoic acid IUPAC Name: 3-methyl-4-(3-methylbutylamino)benzoic acid Traditional Name: 4-(isoamylamino)-3-methyl-benzoic acid Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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