3-[6-[2-(dimethylamino)-1-imidazol-1-yl-butyl]naphthalen-2-yl]oxy-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[6-[2-(dimethylamino)-1-imidazol-1-yl-butyl]naphthalen-2-yl]oxy-2,2-dimethyl-propanoic acid Openeye Name: 3-[[6-[2-(dimethylamino)-1-imidazol-1-yl-butyl]-2-naphthyl]oxy]-2,2-dimethyl-propanoic acid CAS Name: 3-[[6-[2-(dimethylamino)-1-(1-imidazolyl)butyl]-2-naphthalenyl]oxy]-2,2-dimethylpropanoic acid IUPAC Name: 3-[6-[2-(dimethylamino)-1-imidazol-1-ylbutyl]naphthalen-2-yl]oxy-2,2-dimethylpropanoic acid Traditional Name: 3-[6-[2-(dimethylamino)-1-imidazol-1-yl-butyl]-2-naphthoxy]-2,2-dimethyl-propionic acid Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC2=C(C=C1)C=C(C=C2)OCC(C)(C)C(=O)O)N3C=CN=C3)N(C)C

Isomeric SMILES

CCC(C(C1=CC2=C(C=C1)C=C(C=C2)OCC(C)(C)C(=O)O)N3C=CN=C3)N(C)C

InChI

InChI=1S/C24H31N3O3/c1-6-21(26(4)5)22(27-12-11-25-16-27)19-8-7-18-14-20(10-9-17(18)13-19)30-15-24(2,3)23(28)29/h7-14,16,21-22H,6,15H2,1-5H3,(H,28,29)