3-(butan-2-ylamino)-2-methyl-benzoic acid

Systemtic Name: 3-(butan-2-ylamino)-2-methyl-benzoic acid Openeye Name: 2-methyl-3-(sec-butylamino)benzoic acid CAS Name: 3-(butan-2-ylamino)-2-methylbenzoic acid IUPAC Name: 3-(butan-2-ylamino)-2-methylbenzoic acid Traditional Name: 2-methyl-3-(sec-butylamino)benzoic acid Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=CC=CC(=C1C)C(=O)O

Isomeric SMILES

CCC(C)NC1=CC=CC(=C1C)C(=O)O

InChI

InChI=1S/C12H17NO2/c1-4-8(2)13-11-7-5-6-10(9(11)3)12(14)15/h5-8,13H,4H2,1-3H3,(H,14,15)