3-[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]naphthalen-2-yl]oxybenzoic acid

Systemtic Name: 3-[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]naphthalen-2-yl]oxybenzoic acid Openeye Name: 3-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]-2-naphthyl]oxy]benzoic acid CAS Name: 3-[[6-[2-(dimethylamino)-1-(1-imidazolyl)propyl]-2-naphthalenyl]oxy]benzoic acid IUPAC Name: 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxybenzoic acid Traditional Name: 3-[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]-2-naphthoxy]benzoic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC2=C(C=C1)C=C(C=C2)OC3=CC=CC(=C3)C(=O)O)N4C=CN=C4)N(C)C

Isomeric SMILES

CC(C(C1=CC2=C(C=C1)C=C(C=C2)OC3=CC=CC(=C3)C(=O)O)N4C=CN=C4)N(C)C

InChI

InChI=1S/C25H25N3O3/c1-17(27(2)3)24(28-12-11-26-16-28)20-8-7-19-14-23(10-9-18(19)13-20)31-22-6-4-5-21(15-22)25(29)30/h4-17,24H,1-3H3,(H,29,30)