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

Systemtic Name: 2-[[4-chloranyl-3-(cyclohexylmethyl)-2-oxidanylidene-5-propyl-imidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[[4-chloro-3-(cyclohexylmethyl)-2-oxo-5-propyl-imidazol-1-yl]methyl]-6-phenyl-benzoic acid CAS Name: 2-[[4-chloro-3-(cyclohexylmethyl)-2-oxo-5-propyl-1-imidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[4-chloro-3-(cyclohexylmethyl)-2-oxo-5-propylimidazol-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[[4-chloro-3-(cyclohexylmethyl)-2-keto-5-propyl-4-imidazolin-1-yl]methyl]-6-phenyl-benzoic acid Formula: C27H31ClN2O3 MolecularWeight: 466.99964

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CC4CCCCC4)Cl

Isomeric SMILES

CCCC1=C(N(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CC4CCCCC4)Cl

InChI

InChI=1S/C27H31ClN2O3/c1-2-10-23-25(28)30(17-19-11-5-3-6-12-19)27(33)29(23)18-21-15-9-16-22(24(21)26(31)32)20-13-7-4-8-14-20/h4,7-9,13-16,19H,2-3,5-6,10-12,17-18H2,1H3,(H,31,32)