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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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