3-[4-(dimethylamino)butan-2-ylamino]benzoic acid

Systemtic Name: 3-[4-(dimethylamino)butan-2-ylamino]benzoic acid Openeye Name: 3-[[3-(dimethylamino)-1-methyl-propyl]amino]benzoic acid CAS Name: 3-[4-(dimethylamino)butan-2-ylamino]benzoic acid IUPAC Name: 3-[4-(dimethylamino)butan-2-ylamino]benzoic acid Traditional Name: 3-[[3-(dimethylamino)-1-methyl-propyl]amino]benzoic acid Formula: C13H20N2O2 MolecularWeight: 236.3101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2/c1-10(7-8-15(2)3)14-12-6-4-5-11(9-12)13(16)17/h4-6,9-10,14H,7-8H2,1-3H3,(H,16,17)