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

Systemtic Name: methyl 3-[4-[[2-butyl-3-(cyclohexylcarbamoylamino)benzimidazol-5-yl]methyl]phenoxy]hexanoate Openeye Name: methyl 3-[4-[[2-butyl-3-(cyclohexylcarbamoylamino)benzimidazol-5-yl]methyl]phenoxy]hexanoate CAS Name: 3-[4-[[2-butyl-3-[[(cyclohexylamino)-oxomethyl]amino]-5-benzimidazolyl]methyl]phenoxy]hexanoic acid methyl ester IUPAC Name: methyl 3-[4-[[2-butyl-3-(cyclohexylcarbamoylamino)benzimidazol-5-yl]methyl]phenoxy]hexanoate Traditional Name: 3-[4-[[2-butyl-3-(cyclohexylcarbamoylamino)benzimidazol-5-yl]methyl]phenoxy]hexanoic acid methyl ester Formula: C32H44N4O4 MolecularWeight: 548.71616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1NC(=O)NC3CCCCC3)C=C(C=C2)CC4=CC=C(C=C4)OC(CCC)CC(=O)OC

Isomeric SMILES

CCCCC1=NC2=C(N1NC(=O)NC3CCCCC3)C=C(C=C2)CC4=CC=C(C=C4)OC(CCC)CC(=O)OC

InChI

InChI=1S/C32H44N4O4/c1-4-6-13-30-34-28-19-16-24(21-29(28)36(30)35-32(38)33-25-11-8-7-9-12-25)20-23-14-17-26(18-15-23)40-27(10-5-2)22-31(37)39-3/h14-19,21,25,27H,4-13,20,22H2,1-3H3,(H2,33,35,38)