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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO2/c1-4-7-12(8-5-2)16-14-10-6-9-13(11(14)3)15(17)18/h6,9-10,12,16H,4-5,7-8H2,1-3H3,(H,17,18)