methyl 3-[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]naphthalen-2-yl]oxypropanoate

Systemtic Name: methyl 3-[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]naphthalen-2-yl]oxypropanoate Openeye Name: methyl 3-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]-2-naphthyl]oxy]propanoate CAS Name: 3-[[6-[2-(dimethylamino)-1-(1-imidazolyl)propyl]-2-naphthalenyl]oxy]propanoic acid methyl ester IUPAC Name: methyl 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxypropanoate Traditional Name: 3-[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]-2-naphthoxy]propionic acid methyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-16(24(2)3)22(25-11-10-23-15-25)19-6-5-18-14-20(8-7-17(18)13-19)28-12-9-21(26)27-4/h5-8,10-11,13-16,22H,9,12H2,1-4H3