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

Systemtic Name: [2-[(6-acetamido-2-butyl-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[(6-acetamido-2-butyl-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[(6-acetamido-2-butyl-1-benzimidazolyl)methyl]-6-phenylphenyl] ester IUPAC Name: [2-[(6-acetamido-2-butylbenzimidazol-1-yl)methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[(6-acetamido-2-butyl-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4/c1-3-4-13-25-29-23-15-14-21(28-18(2)31)16-24(23)30(25)17-20-11-8-12-22(26(20)34-27(32)33)19-9-6-5-7-10-19/h5-12,14-16H,3-4,13,17H2,1-2H3,(H,28,31)(H,32,33)