2-[4-[(5-cyclohexyl-2-oxidanylidene-3-phenethyl-imidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(5-cyclohexyl-2-oxidanylidene-3-phenethyl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-cyclohexyl-2-oxo-3-phenethyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5-cyclohexyl-2-oxo-3-phenethyl-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-cyclohexyl-2-oxo-3-phenethylimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-cyclohexyl-2-keto-3-phenethyl-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C31H32N2O3 MolecularWeight: 480.59738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CN(C(=O)N2CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=CN(C(=O)N2CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)CCC5=CC=CC=C5

InChI

InChI=1S/C31H32N2O3/c34-30(35)28-14-8-7-13-27(28)25-17-15-24(16-18-25)21-33-29(26-11-5-2-6-12-26)22-32(31(33)36)20-19-23-9-3-1-4-10-23/h1,3-4,7-10,13-18,22,26H,2,5-6,11-12,19-21H2,(H,34,35)