3-(dimethylamino)-2-(2-ethylhexyl)benzoic acid

Systemtic Name: 3-(dimethylamino)-2-(2-ethylhexyl)benzoic acid Openeye Name: 3-(dimethylamino)-2-(2-ethylhexyl)benzoic acid CAS Name: 3-(dimethylamino)-2-(2-ethylhexyl)benzoic acid IUPAC Name: 3-(dimethylamino)-2-(2-ethylhexyl)benzoic acid Traditional Name: 3-(dimethylamino)-2-(2-ethylhexyl)benzoic acid Formula: C17H27NO2 MolecularWeight: 277.40178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=C(C=CC=C1N(C)C)C(=O)O

Isomeric SMILES

CCCCC(CC)CC1=C(C=CC=C1N(C)C)C(=O)O

InChI

InChI=1S/C17H27NO2/c1-5-7-9-13(6-2)12-15-14(17(19)20)10-8-11-16(15)18(3)4/h8,10-11,13H,5-7,9,12H2,1-4H3,(H,19,20)