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

Systemtic Name: 3-(heptan-2-ylamino)-2-methyl-benzoic acid Openeye Name: 2-methyl-3-(1-methylhexylamino)benzoic acid CAS Name: 3-(heptan-2-ylamino)-2-methylbenzoic acid IUPAC Name: 3-(heptan-2-ylamino)-2-methylbenzoic acid Traditional Name: 2-methyl-3-(1-methylhexylamino)benzoic acid Formula: C15H23NO2 MolecularWeight: 249.34862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO2/c1-4-5-6-8-11(2)16-14-10-7-9-13(12(14)3)15(17)18/h7,9-11,16H,4-6,8H2,1-3H3,(H,17,18)