methyl 3-[4-[[2-butyl-5-(propanoylamino)benzimidazol-1-yl]methyl]phenoxy]hexanoate

Systemtic Name: methyl 3-[4-[[2-butyl-5-(propanoylamino)benzimidazol-1-yl]methyl]phenoxy]hexanoate Openeye Name: methyl 3-[4-[[2-butyl-5-(propanoylamino)benzimidazol-1-yl]methyl]phenoxy]hexanoate CAS Name: 3-[4-[[2-butyl-5-(1-oxopropylamino)-1-benzimidazolyl]methyl]phenoxy]hexanoic acid methyl ester IUPAC Name: methyl 3-[4-[[2-butyl-5-(propanoylamino)benzimidazol-1-yl]methyl]phenoxy]hexanoate Traditional Name: 3-[4-[(2-butyl-5-propionamido-benzimidazol-1-yl)methyl]phenoxy]hexanoic acid methyl ester Formula: C28H37N3O4 MolecularWeight: 479.61108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)OC(CCC)CC(=O)OC)C=CC(=C2)NC(=O)CC

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)OC(CCC)CC(=O)OC)C=CC(=C2)NC(=O)CC

InChI

InChI=1S/C28H37N3O4/c1-5-8-10-26-30-24-17-21(29-27(32)7-3)13-16-25(24)31(26)19-20-11-14-22(15-12-20)35-23(9-6-2)18-28(33)34-4/h11-17,23H,5-10,18-19H2,1-4H3,(H,29,32)