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

Systemtic Name: [2-[(3-butyl-5-but-2-ynyl-2-oxidanylidene-imidazol-1-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[(3-butyl-5-but-2-ynyl-2-oxo-imidazol-1-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[(3-butyl-5-but-2-ynyl-2-oxo-1-imidazolyl)methyl]-6-phenylphenyl] ester IUPAC Name: [2-[(3-butyl-5-but-2-ynyl-2-oxoimidazol-1-yl)methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[(3-butyl-5-but-2-ynyl-2-keto-4-imidazolin-1-yl)methyl]-6-phenyl-phenyl] ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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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#CC

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O4/c1-3-5-14-21-18-26(16-6-4-2)24(28)27(21)17-20-13-10-15-22(23(20)31-25(29)30)19-11-8-7-9-12-19/h7-13,15,18H,4,6,14,16-17H2,1-2H3,(H,29,30)