[2-[[2-butyl-6-(3-ethyl-3-methyl-5-oxidanylidene-pentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [2-[[2-butyl-6-(3-ethyl-3-methyl-5-oxidanylidene-pentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[2-butyl-6-(3-ethyl-3-methyl-5-oxo-pentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[2-butyl-6-(3-ethyl-3-methyl-1,5-dioxopentyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[2-butyl-6-(3-ethyl-3-methyl-5-oxopentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[[2-butyl-6-(3-ethyl-5-keto-3-methyl-pentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C33H37N3O5 MolecularWeight: 555.66398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H37N3O5/c1-4-6-15-29-35-27-17-16-25(34-30(38)21-33(3,5-2)18-19-37)20-28(27)36(29)22-24-13-10-14-26(31(24)41-32(39)40)23-11-8-7-9-12-23/h7-14,16-17,19H,4-6,15,18,20-22H2,1-3H3,(H,39,40)