[2-[[2-butyl-6-(2-methylpropanoylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [2-[[2-butyl-6-(2-methylpropanoylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[2-butyl-6-(2-methylpropanoylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[2-butyl-6-[(2-methyl-1-oxopropyl)amino]-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[2-butyl-6-(2-methylpropanoylamino)benzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[[2-butyl-6-(isobutyrylamino)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C29H31N3O4 MolecularWeight: 485.57414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=C(C=C2)NC(=O)C(C)C

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=C(C=C2)NC(=O)C(C)C

InChI

InChI=1S/C29H31N3O4/c1-4-5-14-26-31-24-16-15-22(30-28(33)19(2)3)17-25(24)32(26)18-21-12-9-13-23(27(21)36-29(34)35)20-10-7-6-8-11-20/h6-13,15-17,19H,4-5,14,18H2,1-3H3,(H,30,33)(H,34,35)