4-(dimethylamino)-2-pentyl-benzoic acid

Systemtic Name: 4-(dimethylamino)-2-pentyl-benzoic acid Openeye Name: 4-(dimethylamino)-2-pentyl-benzoic acid CAS Name: 4-(dimethylamino)-2-pentylbenzoic acid IUPAC Name: 4-(dimethylamino)-2-pentylbenzoic acid Traditional Name: 2-amyl-4-(dimethylamino)benzoic acid Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC(=C1)N(C)C)C(=O)O

Isomeric SMILES

CCCCCC1=C(C=CC(=C1)N(C)C)C(=O)O

InChI

InChI=1S/C14H21NO2/c1-4-5-6-7-11-10-12(15(2)3)8-9-13(11)14(16)17/h8-10H,4-7H2,1-3H3,(H,16,17)