2-[[3-butyl-4-(fluoranylmethyl)-5-(3-methylbutyl)-2-oxidanylidene-imidazol-1-yl]methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[[3-butyl-4-(fluoranylmethyl)-5-(3-methylbutyl)-2-oxidanylidene-imidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[[3-butyl-4-(fluoromethyl)-5-isopentyl-2-oxo-imidazol-1-yl]methyl]-6-phenyl-benzoic acid CAS Name: 2-[[3-butyl-4-(fluoromethyl)-5-(3-methylbutyl)-2-oxo-1-imidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[3-butyl-4-(fluoromethyl)-5-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[[3-butyl-4-(fluoromethyl)-5-isoamyl-2-keto-4-imidazolin-1-yl]methyl]-6-phenyl-benzoic acid Formula: C27H33FN2O3 MolecularWeight: 452.560923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N(C1=O)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC(C)C)CF

Isomeric SMILES

CCCCN1C(=C(N(C1=O)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC(C)C)CF

InChI

InChI=1S/C27H33FN2O3/c1-4-5-16-29-24(17-28)23(15-14-19(2)3)30(27(29)33)18-21-12-9-13-22(25(21)26(31)32)20-10-7-6-8-11-20/h6-13,19H,4-5,14-18H2,1-3H3,(H,31,32)