[2-[(3,5-dibutyl-4-chloranyl-2-oxidanylidene-imidazol-1-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [2-[(3,5-dibutyl-4-chloranyl-2-oxidanylidene-imidazol-1-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[(3,5-dibutyl-4-chloro-2-oxo-imidazol-1-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[(3,5-dibutyl-4-chloro-2-oxo-1-imidazolyl)methyl]-6-phenylphenyl] ester IUPAC Name: [2-[(3,5-dibutyl-4-chloro-2-oxoimidazol-1-yl)methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[(3,5-dibutyl-4-chloro-2-keto-4-imidazolin-1-yl)methyl]-6-phenyl-phenyl] ester Formula: C25H29ClN2O4 MolecularWeight: 456.96176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=O)N1CC2=CC=CC(=C2OC(=O)O)C3=CC=CC=C3)CCCC)Cl

Isomeric SMILES

CCCCC1=C(N(C(=O)N1CC2=CC=CC(=C2OC(=O)O)C3=CC=CC=C3)CCCC)Cl

InChI

InChI=1S/C25H29ClN2O4/c1-3-5-15-21-23(26)27(16-6-4-2)24(29)28(21)17-19-13-10-14-20(22(19)32-25(30)31)18-11-8-7-9-12-18/h7-14H,3-6,15-17H2,1-2H3,(H,30,31)