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

Systemtic Name: 2-[[4-chloranyl-3-(2-cyclohexylethanoyl)-5-(3-methylbutyl)-2-oxidanylidene-imidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[[4-chloro-3-(2-cyclohexylacetyl)-5-isopentyl-2-oxo-imidazol-1-yl]methyl]-6-phenyl-benzoic acid CAS Name: 2-[[4-chloro-3-(2-cyclohexyl-1-oxoethyl)-5-(3-methylbutyl)-2-oxo-1-imidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[4-chloro-3-(2-cyclohexylacetyl)-5-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[[4-chloro-3-(2-cyclohexylacetyl)-5-isoamyl-2-keto-4-imidazolin-1-yl]methyl]-6-phenyl-benzoic acid Formula: C30H35ClN2O4 MolecularWeight: 523.0629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(N(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)C(=O)CC4CCCCC4)Cl

Isomeric SMILES

CC(C)CCC1=C(N(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)C(=O)CC4CCCCC4)Cl

InChI

InChI=1S/C30H35ClN2O4/c1-20(2)16-17-25-28(31)33(26(34)18-21-10-5-3-6-11-21)30(37)32(25)19-23-14-9-15-24(27(23)29(35)36)22-12-7-4-8-13-22/h4,7-9,12-15,20-21H,3,5-6,10-11,16-19H2,1-2H3,(H,35,36)