[2-methyl-3-[6-(2-oxidanylidenepiperidin-1-yl)-2-propyl-benzimidazol-1-yl]-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [2-methyl-3-[6-(2-oxidanylidenepiperidin-1-yl)-2-propyl-benzimidazol-1-yl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-methyl-3-[6-(2-oxo-1-piperidyl)-2-propyl-benzimidazol-1-yl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-methyl-3-[6-(2-oxo-1-piperidinyl)-2-propyl-1-benzimidazolyl]-6-phenylphenyl] ester IUPAC Name: [2-methyl-3-[6-(2-oxopiperidin-1-yl)-2-propylbenzimidazol-1-yl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[6-(2-ketopiperidino)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)N5CCCCC5=O

Isomeric SMILES

CCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)N5CCCCC5=O

InChI

InChI=1S/C29H29N3O4/c1-3-9-26-30-23-15-13-21(31-17-8-7-12-27(31)33)18-25(23)32(26)24-16-14-22(20-10-5-4-6-11-20)28(19(24)2)36-29(34)35/h4-6,10-11,13-16,18H,3,7-9,12,17H2,1-2H3,(H,34,35)