4-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]naphthalen-2-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]naphthalen-2-yl]oxymethyl]benzoic acid Openeye Name: 4-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]-2-naphthyl]oxymethyl]benzoic acid CAS Name: 4-[[6-[2-(dimethylamino)-1-(1-imidazolyl)propyl]-2-naphthalenyl]oxymethyl]benzoic acid IUPAC Name: 4-[[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxymethyl]benzoic acid Traditional Name: 4-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]-2-naphthoxy]methyl]benzoic acid Formula: C26H27N3O3 MolecularWeight: 429.51088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC2=C(C=C1)C=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)N4C=CN=C4)N(C)C

Isomeric SMILES

CC(C(C1=CC2=C(C=C1)C=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)N4C=CN=C4)N(C)C

InChI

InChI=1S/C26H27N3O3/c1-18(28(2)3)25(29-13-12-27-17-29)23-9-8-22-15-24(11-10-21(22)14-23)32-16-19-4-6-20(7-5-19)26(30)31/h4-15,17-18,25H,16H2,1-3H3,(H,30,31)