3-(dimethylamino)-4-(2-piperidin-1-ylphenyl)carbonyl-benzoic acid

Systemtic Name: 3-(dimethylamino)-4-(2-piperidin-1-ylphenyl)carbonyl-benzoic acid Openeye Name: 3-(dimethylamino)-4-[2-(1-piperidyl)benzoyl]benzoic acid CAS Name: 3-(dimethylamino)-4-[oxo-[2-(1-piperidinyl)phenyl]methyl]benzoic acid IUPAC Name: 3-(dimethylamino)-4-(2-piperidin-1-ylbenzoyl)benzoic acid Traditional Name: 3-(dimethylamino)-4-(2-piperidinobenzoyl)benzoic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC(=C1)C(=O)O)C(=O)C2=CC=CC=C2N3CCCCC3

Isomeric SMILES

CN(C)C1=C(C=CC(=C1)C(=O)O)C(=O)C2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C21H24N2O3/c1-22(2)19-14-15(21(25)26)10-11-17(19)20(24)16-8-4-5-9-18(16)23-12-6-3-7-13-23/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,25,26)