[2-[[5-(butanoylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [2-[[5-(butanoylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[5-(butanoylamino)-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[2-butyl-5-(1-oxobutylamino)-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[5-(butanoylamino)-2-butylbenzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[(2-butyl-5-butyramido-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] ester Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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