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

Systemtic Name: [2-[[3-butyl-5-(3-methylbutyl)-2-oxidanylidene-imidazol-1-yl]methyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[(3-butyl-5-isopentyl-2-oxo-imidazol-1-yl)methyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[3-butyl-5-(3-methylbutyl)-2-oxo-1-imidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[3-butyl-5-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[(3-butyl-5-isoamyl-2-keto-4-imidazolin-1-yl)methyl]-6-phenyl-phenyl] ester Formula: C26H32N2O4 MolecularWeight: 436.54328

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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)CCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O4/c1-4-5-16-27-18-22(15-14-19(2)3)28(25(27)29)17-21-12-9-13-23(24(21)32-26(30)31)20-10-7-6-8-11-20/h6-13,18-19H,4-5,14-17H2,1-3H3,(H,30,31)