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

Systemtic Name: 2-[[3-(cyclohexylmethyl)-4-methyl-2-oxidanylidene-5-propyl-imidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[[3-(cyclohexylmethyl)-4-methyl-2-oxo-5-propyl-imidazol-1-yl]methyl]-6-phenyl-benzoic acid CAS Name: 2-[[3-(cyclohexylmethyl)-4-methyl-2-oxo-5-propyl-1-imidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[3-(cyclohexylmethyl)-4-methyl-2-oxo-5-propylimidazol-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[[3-(cyclohexylmethyl)-2-keto-4-methyl-5-propyl-4-imidazolin-1-yl]methyl]-6-phenyl-benzoic acid Formula: C28H34N2O3 MolecularWeight: 446.58116

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O3/c1-3-11-25-20(2)29(18-21-12-6-4-7-13-21)28(33)30(25)19-23-16-10-17-24(26(23)27(31)32)22-14-8-5-9-15-22/h5,8-10,14-17,21H,3-4,6-7,11-13,18-19H2,1-2H3,(H,31,32)