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

Systemtic Name: [2-[[2-butyl-6-(3,3-dimethyl-5-oxidanylidene-pentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[[2-butyl-6-(3,3-dimethyl-5-oxo-pentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[2-butyl-6-(3,3-dimethyl-1,5-dioxopentyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[2-butyl-6-(3,3-dimethyl-5-oxopentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[[2-butyl-6-(5-keto-3,3-dimethyl-pentanoyl)imino-7H-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C32H35N3O5 MolecularWeight: 541.6374

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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)(C)CC=O)C=C2

Isomeric SMILES

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

InChI

InChI=1S/C32H35N3O5/c1-4-5-14-28-34-26-16-15-24(33-29(37)20-32(2,3)17-18-36)19-27(26)35(28)21-23-12-9-13-25(30(23)40-31(38)39)22-10-7-6-8-11-22/h6-13,15-16,18H,4-5,14,17,19-21H2,1-3H3,(H,38,39)