N,N-diethylethanamine; 4-[3-(dimethylamino)-1-pyridin-2-yl-propyl]benzoic acid

Systemtic Name: N,N-diethylethanamine; 4-[3-(dimethylamino)-1-pyridin-2-yl-propyl]benzoic acid Openeye Name: N,N-diethylethanamine; 4-[3-(dimethylamino)-1-(2-pyridyl)propyl]benzoic acid CAS Name: N,N-diethylethanamine; 4-[3-(dimethylamino)-1-(2-pyridinyl)propyl]benzoic acid IUPAC Name: N,N-diethylethanamine; 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoic acid Traditional Name: 4-[3-(dimethylamino)-1-(2-pyridyl)propyl]benzoic acid; triethylamine Formula: C23H35N3O2 MolecularWeight: 385.5429

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CN(C)CCC(C1=CC=C(C=C1)C(=O)O)C2=CC=CC=N2

Isomeric SMILES

CCN(CC)CC.CN(C)CCC(C1=CC=C(C=C1)C(=O)O)C2=CC=CC=N2

InChI

InChI=1S/C17H20N2O2.C6H15N/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(9-7-13)17(20)21;1-4-7(5-2)6-3/h3-9,11,15H,10,12H2,1-2H3,(H,20,21);4-6H2,1-3H3