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

Systemtic Name: 4-(heptan-2-ylamino)-3-methyl-benzoic acid Openeye Name: 3-methyl-4-(1-methylhexylamino)benzoic acid CAS Name: 4-(heptan-2-ylamino)-3-methylbenzoic acid IUPAC Name: 4-(heptan-2-ylamino)-3-methylbenzoic acid Traditional Name: 3-methyl-4-(1-methylhexylamino)benzoic acid Formula: C15H23NO2 MolecularWeight: 249.34862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC1=C(C=C(C=C1)C(=O)O)C

Isomeric SMILES

CCCCCC(C)NC1=C(C=C(C=C1)C(=O)O)C

InChI

InChI=1S/C15H23NO2/c1-4-5-6-7-12(3)16-14-9-8-13(15(17)18)10-11(14)2/h8-10,12,16H,4-7H2,1-3H3,(H,17,18)