ethyl 1-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]naphthalen-2-yl]oxymethyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 1-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]naphthalen-2-yl]oxymethyl]cyclohexane-1-carboxylate Openeye Name: ethyl 1-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]-2-naphthyl]oxymethyl]cyclohexanecarboxylate CAS Name: 1-[[6-[2-(dimethylamino)-1-(1-imidazolyl)propyl]-2-naphthalenyl]oxymethyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxymethyl]cyclohexane-1-carboxylate Traditional Name: 1-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]-2-naphthoxy]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C28H37N3O3 MolecularWeight: 463.61168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCC1)COC2=CC3=C(C=C2)C=C(C=C3)C(C(C)N(C)C)N4C=CN=C4

Isomeric SMILES

CCOC(=O)C1(CCCCC1)COC2=CC3=C(C=C2)C=C(C=C3)C(C(C)N(C)C)N4C=CN=C4

InChI

InChI=1S/C28H37N3O3/c1-5-33-27(32)28(13-7-6-8-14-28)19-34-25-12-11-22-17-24(10-9-23(22)18-25)26(21(2)30(3)4)31-16-15-29-20-31/h9-12,15-18,20-21,26H,5-8,13-14,19H2,1-4H3