methyl 2-[4-[[2-butyl-6-(propanoylamino)benzimidazol-1-yl]methyl]phenoxy]-4-methyl-pentanoate

Systemtic Name: methyl 2-[4-[[2-butyl-6-(propanoylamino)benzimidazol-1-yl]methyl]phenoxy]-4-methyl-pentanoate Openeye Name: methyl 2-[4-[[2-butyl-6-(propanoylamino)benzimidazol-1-yl]methyl]phenoxy]-4-methyl-pentanoate CAS Name: 2-[4-[[2-butyl-6-(1-oxopropylamino)-1-benzimidazolyl]methyl]phenoxy]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[4-[[2-butyl-6-(propanoylamino)benzimidazol-1-yl]methyl]phenoxy]-4-methylpentanoate Traditional Name: 2-[4-[(2-butyl-6-propionamido-benzimidazol-1-yl)methyl]phenoxy]-4-methyl-valeric acid methyl ester Formula: C28H37N3O4 MolecularWeight: 479.61108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O4/c1-6-8-9-26-30-23-15-12-21(29-27(32)7-2)17-24(23)31(26)18-20-10-13-22(14-11-20)35-25(16-19(3)4)28(33)34-5/h10-15,17,19,25H,6-9,16,18H2,1-5H3,(H,29,32)