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

Systemtic Name: methyl 3-[4-[[2-butyl-1-(2-oxidanylidenebutylamino)benzimidazol-5-yl]methyl]phenoxy]hexanoate Openeye Name: methyl 3-[4-[[2-butyl-1-(2-oxobutylamino)benzimidazol-5-yl]methyl]phenoxy]hexanoate CAS Name: 3-[4-[[2-butyl-1-(2-oxobutylamino)-5-benzimidazolyl]methyl]phenoxy]hexanoic acid methyl ester IUPAC Name: methyl 3-[4-[[2-butyl-1-(2-oxobutylamino)benzimidazol-5-yl]methyl]phenoxy]hexanoate Traditional Name: 3-[4-[[2-butyl-1-(2-ketobutylamino)benzimidazol-5-yl]methyl]phenoxy]hexanoic acid methyl ester Formula: C29H39N3O4 MolecularWeight: 493.63766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1NCC(=O)CC)C=CC(=C2)CC3=CC=C(C=C3)OC(CCC)CC(=O)OC

Isomeric SMILES

CCCCC1=NC2=C(N1NCC(=O)CC)C=CC(=C2)CC3=CC=C(C=C3)OC(CCC)CC(=O)OC

InChI

InChI=1S/C29H39N3O4/c1-5-8-10-28-31-26-18-22(13-16-27(26)32(28)30-20-23(33)7-3)17-21-11-14-24(15-12-21)36-25(9-6-2)19-29(34)35-4/h11-16,18,25,30H,5-10,17,19-20H2,1-4H3