3-[2-ethyl-4-methyl-6-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-[2-ethyl-4-methyl-6-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[2-ethyl-4-methyl-6-[1-(2-morpholinoethyl)imidazol-4-yl]benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[2-ethyl-4-methyl-6-[1-[2-(4-morpholinyl)ethyl]-4-imidazolyl]-1-benzimidazolyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[2-ethyl-4-methyl-6-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]benzimidazol-1-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[2-ethyl-4-methyl-6-[1-(2-morpholinoethyl)imidazol-4-yl]benzimidazol-1-yl]-2-methyl-6-phenyl-benzoic acid Formula: C33H35N5O3 MolecularWeight: 549.6627

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C5=CN(C=N5)CCN6CCOCC6)C

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C5=CN(C=N5)CCN6CCOCC6)C

InChI

InChI=1S/C33H35N5O3/c1-4-30-35-32-22(2)18-25(27-20-37(21-34-27)13-12-36-14-16-41-17-15-36)19-29(32)38(30)28-11-10-26(24-8-6-5-7-9-24)31(23(28)3)33(39)40/h5-11,18-21H,4,12-17H2,1-3H3,(H,39,40)