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

Systemtic Name: [2-[[3-butyl-5-(2-methylpropyl)-2-oxidanylidene-imidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[(3-butyl-5-isobutyl-2-oxo-imidazol-1-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[3-butyl-5-(2-methylpropyl)-2-oxo-1-imidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[3-butyl-5-(2-methylpropyl)-2-oxoimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[(3-butyl-5-isobutyl-2-keto-4-imidazolin-1-yl)methyl]-6-phenyl-phenyl] ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(N(C1=O)CC2=CC=CC(=C2OC(=O)O)C3=CC=CC=C3)CC(C)C

Isomeric SMILES

CCCCN1C=C(N(C1=O)CC2=CC=CC(=C2OC(=O)O)C3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C25H30N2O4/c1-4-5-14-26-17-21(15-18(2)3)27(24(26)28)16-20-12-9-13-22(23(20)31-25(29)30)19-10-7-6-8-11-19/h6-13,17-18H,4-5,14-16H2,1-3H3,(H,29,30)