[3-[2-butyl-6-(2-methanoylcyclohexen-1-yl)carbonylimino-7H-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate dihydrate

Systemtic Name: [3-[2-butyl-6-(2-methanoylcyclohexen-1-yl)carbonylimino-7H-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate dihydrate Openeye Name: [3-[2-butyl-6-(2-formylcyclohexene-1-carbonyl)imino-7H-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate dihydrate CAS Name: carbonic acid [3-[2-butyl-6-[(2-formyl-1-cyclohexenyl)-oxomethyl]imino-7H-benzimidazol-1-yl]-2-methyl-6-phenylphenyl] ester dihydrate IUPAC Name: [3-[2-butyl-6-(2-formylcyclohexene-1-carbonyl)imino-7H-benzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate dihydrate Traditional Name: carbonic acid [3-[2-butyl-6-(2-formylcyclohexene-1-carbonyl)imino-7H-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester dihydrate Formula: C33H37N3O7 MolecularWeight: 587.66278

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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)CC(=NC(=O)C5=C(CCCC5)C=O)C=C2.O.O

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)CC(=NC(=O)C5=C(CCCC5)C=O)C=C2.O.O

InChI

InChI=1S/C33H33N3O5.2H2O/c1-3-4-14-30-35-27-17-15-24(34-32(38)26-13-9-8-12-23(26)20-37)19-29(27)36(30)28-18-16-25(22-10-6-5-7-11-22)31(21(28)2)41-33(39)40;;/h5-7,10-11,15-18,20H,3-4,8-9,12-14,19H2,1-2H3,(H,39,40);2*1H2