1-[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]naphthalen-2-yl]oxycyclohexane-1-carboxylic acid

Systemtic Name: 1-[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]naphthalen-2-yl]oxycyclohexane-1-carboxylic acid Openeye Name: 1-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]-2-naphthyl]oxy]cyclohexanecarboxylic acid CAS Name: 1-[[6-[2-(dimethylamino)-1-(1-imidazolyl)propyl]-2-naphthalenyl]oxy]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxycyclohexane-1-carboxylic acid Traditional Name: 1-[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]-2-naphthoxy]cyclohexanecarboxylic acid Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC2=C(C=C1)C=C(C=C2)OC3(CCCCC3)C(=O)O)N4C=CN=C4)N(C)C

Isomeric SMILES

CC(C(C1=CC2=C(C=C1)C=C(C=C2)OC3(CCCCC3)C(=O)O)N4C=CN=C4)N(C)C

InChI

InChI=1S/C25H31N3O3/c1-18(27(2)3)23(28-14-13-26-17-28)21-8-7-20-16-22(10-9-19(20)15-21)31-25(24(29)30)11-5-4-6-12-25/h7-10,13-18,23H,4-6,11-12H2,1-3H3,(H,29,30)