2-[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]naphthalen-2-yl]oxy-2-ethyl-butanoic acid

Systemtic Name: 2-[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]naphthalen-2-yl]oxy-2-ethyl-butanoic acid Openeye Name: 2-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]-2-naphthyl]oxy]-2-ethyl-butanoic acid CAS Name: 2-[[6-[2-(dimethylamino)-1-(1-imidazolyl)propyl]-2-naphthalenyl]oxy]-2-ethylbutanoic acid IUPAC Name: 2-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-2-ethylbutanoic acid Traditional Name: 2-[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]-2-naphthoxy]-2-ethyl-butyric acid Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)O)OC1=CC2=C(C=C1)C=C(C=C2)C(C(C)N(C)C)N3C=CN=C3

Isomeric SMILES

CCC(CC)(C(=O)O)OC1=CC2=C(C=C1)C=C(C=C2)C(C(C)N(C)C)N3C=CN=C3

InChI

InChI=1S/C24H31N3O3/c1-6-24(7-2,23(28)29)30-21-11-10-18-14-20(9-8-19(18)15-21)22(17(3)26(4)5)27-13-12-25-16-27/h8-17,22H,6-7H2,1-5H3,(H,28,29)