[3-[6-(azepan-1-yl)-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [3-[6-(azepan-1-yl)-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[6-(azepan-1-yl)-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[6-(1-azepanyl)-2-butyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[6-(azepan-1-yl)-2-butylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[6-(azepan-1-yl)-2-butyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C31H35N3O3 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)N5CCCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)N5CCCCCC5

InChI

InChI=1S/C31H35N3O3/c1-3-4-14-29-32-26-17-15-24(33-19-10-5-6-11-20-33)21-28(26)34(29)27-18-16-25(23-12-8-7-9-13-23)30(22(27)2)37-31(35)36/h7-9,12-13,15-18,21H,3-6,10-11,14,19-20H2,1-2H3,(H,35,36)