4-[butan-2-yl(methyl)amino]benzoic acid

Systemtic Name: 4-[butan-2-yl(methyl)amino]benzoic acid Openeye Name: 4-[methyl(sec-butyl)amino]benzoic acid CAS Name: 4-[butan-2-yl(methyl)amino]benzoic acid IUPAC Name: 4-[butan-2-yl(methyl)amino]benzoic acid Traditional Name: 4-[methyl(sec-butyl)amino]benzoic acid Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCC(C)N(C)C1=CC=C(C=C1)C(=O)O

InChI

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