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

Systemtic Name: 4-(dimethylamino)-2-octyl-benzoic acid Openeye Name: 4-(dimethylamino)-2-octyl-benzoic acid CAS Name: 4-(dimethylamino)-2-octylbenzoic acid IUPAC Name: 4-(dimethylamino)-2-octylbenzoic acid Traditional Name: 4-(dimethylamino)-2-octyl-benzoic acid Formula: C17H27NO2 MolecularWeight: 277.40178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CC(=C1)N(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCC1=C(C=CC(=C1)N(C)C)C(=O)O

InChI

InChI=1S/C17H27NO2/c1-4-5-6-7-8-9-10-14-13-15(18(2)3)11-12-16(14)17(19)20/h11-13H,4-10H2,1-3H3,(H,19,20)