4-methyl-3-(2-methylpentan-3-ylamino)benzoic acid

Systemtic Name: 4-methyl-3-(2-methylpentan-3-ylamino)benzoic acid Openeye Name: 3-[(1-ethyl-2-methyl-propyl)amino]-4-methyl-benzoic acid CAS Name: 4-methyl-3-(2-methylpentan-3-ylamino)benzoic acid IUPAC Name: 4-methyl-3-(2-methylpentan-3-ylamino)benzoic acid Traditional Name: 3-[(1-ethyl-2-methyl-propyl)amino]-4-methyl-benzoic acid Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C)NC1=C(C=CC(=C1)C(=O)O)C

Isomeric SMILES

CCC(C(C)C)NC1=C(C=CC(=C1)C(=O)O)C

InChI

InChI=1S/C14H21NO2/c1-5-12(9(2)3)15-13-8-11(14(16)17)7-6-10(13)4/h6-9,12,15H,5H2,1-4H3,(H,16,17)