6-[1-[2-(diethylamino)-2-oxidanylidene-ethyl]-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid

Systemtic Name: 6-[1-[2-(diethylamino)-2-oxidanylidene-ethyl]-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid Openeye Name: 6-[1-[2-(diethylamino)-2-oxo-ethyl]-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid CAS Name: 6-[[1-[2-(diethylamino)-2-oxoethyl]-2-phenyl-5-benzimidazolyl]oxy]hexanoic acid IUPAC Name: 6-[1-[2-(diethylamino)-2-oxoethyl]-2-phenylbenzimidazol-5-yl]oxyhexanoic acid Traditional Name: 6-[1-[2-(diethylamino)-2-keto-ethyl]-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4/c1-3-27(4-2)23(29)18-28-22-15-14-20(32-16-10-6-9-13-24(30)31)17-21(22)26-25(28)19-11-7-5-8-12-19/h5,7-8,11-12,14-15,17H,3-4,6,9-10,13,16,18H2,1-2H3,(H,30,31)