methyl 4-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]naphthalen-2-yl]oxymethyl]oxane-4-carboxylate

Systemtic Name: methyl 4-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]naphthalen-2-yl]oxymethyl]oxane-4-carboxylate Openeye Name: methyl 4-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]-2-naphthyl]oxymethyl]tetrahydropyran-4-carboxylate CAS Name: 4-[[6-[2-(dimethylamino)-1-(1-imidazolyl)propyl]-2-naphthalenyl]oxymethyl]-4-oxanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxymethyl]oxane-4-carboxylate Traditional Name: 4-[[6-[2-(dimethylamino)-1-imidazol-1-yl-propyl]-2-naphthoxy]methyl]tetrahydropyran-4-carboxylic acid methyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC2=C(C=C1)C=C(C=C2)OCC3(CCOCC3)C(=O)OC)N4C=CN=C4)N(C)C

Isomeric SMILES

CC(C(C1=CC2=C(C=C1)C=C(C=C2)OCC3(CCOCC3)C(=O)OC)N4C=CN=C4)N(C)C

InChI

InChI=1S/C26H33N3O4/c1-19(28(2)3)24(29-12-11-27-18-29)22-6-5-21-16-23(8-7-20(21)15-22)33-17-26(25(30)31-4)9-13-32-14-10-26/h5-8,11-12,15-16,18-19,24H,9-10,13-14,17H2,1-4H3