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

Systemtic Name: [3-[2-butyl-6-(3,3-dimethylpiperidin-1-yl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[2-butyl-6-(3,3-dimethyl-1-piperidyl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[2-butyl-6-(3,3-dimethyl-1-piperidinyl)-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[2-butyl-6-(3,3-dimethylpiperidin-1-yl)benzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[2-butyl-6-(3,3-dimethylpiperidino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C32H37N3O3 MolecularWeight: 511.65448

Click to see the large picture

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)N5CCCC(C5)(C)C

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)N5CCCC(C5)(C)C

InChI

InChI=1S/C32H37N3O3/c1-5-6-13-29-33-26-16-14-24(34-19-10-18-32(3,4)21-34)20-28(26)35(29)27-17-15-25(23-11-8-7-9-12-23)30(22(27)2)38-31(36)37/h7-9,11-12,14-17,20H,5-6,10,13,18-19,21H2,1-4H3,(H,36,37)