methyl 6-[1-[2-(diethylamino)-2-oxidanylidene-ethyl]-2-phenyl-benzimidazol-5-yl]oxyhexanoate

Systemtic Name: methyl 6-[1-[2-(diethylamino)-2-oxidanylidene-ethyl]-2-phenyl-benzimidazol-5-yl]oxyhexanoate Openeye Name: methyl 6-[1-[2-(diethylamino)-2-oxo-ethyl]-2-phenyl-benzimidazol-5-yl]oxyhexanoate CAS Name: 6-[[1-[2-(diethylamino)-2-oxoethyl]-2-phenyl-5-benzimidazolyl]oxy]hexanoic acid methyl ester IUPAC Name: methyl 6-[1-[2-(diethylamino)-2-oxoethyl]-2-phenylbenzimidazol-5-yl]oxyhexanoate Traditional Name: 6-[1-[2-(diethylamino)-2-keto-ethyl]-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid methyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1C2=C(C=C(C=C2)OCCCCCC(=O)OC)N=C1C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)CN1C2=C(C=C(C=C2)OCCCCCC(=O)OC)N=C1C3=CC=CC=C3

InChI

InChI=1S/C26H33N3O4/c1-4-28(5-2)24(30)19-29-23-16-15-21(33-17-11-7-10-14-25(31)32-3)18-22(23)27-26(29)20-12-8-6-9-13-20/h6,8-9,12-13,15-16,18H,4-5,7,10-11,14,17,19H2,1-3H3