[2-[[4-(butanoylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [2-[[4-(butanoylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[4-(butanoylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[2-butyl-4-(1-oxobutylamino)-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[4-(butanoylamino)-2-butylbenzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[(2-butyl-4-butyramido-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=CC=C2NC(=O)CCC

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)C=CC=C2NC(=O)CCC

InChI

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