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

Systemtic Name: 3-[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]naphthalen-2-yl]oxypropanoic acid Openeye Name: 3-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]-2-naphthyl]oxy]propanoic acid CAS Name: 3-[[6-[2-(dimethylamino)-1-(1-imidazolyl)propyl]-2-naphthalenyl]oxy]propanoic acid IUPAC Name: 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxypropanoic acid Traditional Name: 3-[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]-2-naphthoxy]propionic acid Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-15(23(2)3)21(24-10-9-22-14-24)18-5-4-17-13-19(7-6-16(17)12-18)27-11-8-20(25)26/h4-7,9-10,12-15,21H,8,11H2,1-3H3,(H,25,26)