[2-[(3-butyl-5-hexyl-2-oxidanylidene-imidazol-1-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [2-[(3-butyl-5-hexyl-2-oxidanylidene-imidazol-1-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[(3-butyl-5-hexyl-2-oxo-imidazol-1-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[(3-butyl-5-hexyl-2-oxo-1-imidazolyl)methyl]-6-phenylphenyl] ester IUPAC Name: [2-[(3-butyl-5-hexyl-2-oxoimidazol-1-yl)methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[(3-butyl-5-hexyl-2-keto-4-imidazolin-1-yl)methyl]-6-phenyl-phenyl] ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN(C(=O)N1CC2=CC=CC(=C2OC(=O)O)C3=CC=CC=C3)CCCC

Isomeric SMILES

CCCCCCC1=CN(C(=O)N1CC2=CC=CC(=C2OC(=O)O)C3=CC=CC=C3)CCCC

InChI

InChI=1S/C27H34N2O4/c1-3-5-7-11-16-23-20-28(18-6-4-2)26(30)29(23)19-22-15-12-17-24(25(22)33-27(31)32)21-13-9-8-10-14-21/h8-10,12-15,17,20H,3-7,11,16,18-19H2,1-2H3,(H,31,32)