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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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