5-[(5-ethyl-7,7-dimethyl-6-oxidanylidene-1H-pyrrolo[2,3-f]benzimidazol-2-yl)methyl]-2-phenyl-benzoic acid

Systemtic Name: 5-[(5-ethyl-7,7-dimethyl-6-oxidanylidene-1H-pyrrolo[2,3-f]benzimidazol-2-yl)methyl]-2-phenyl-benzoic acid Openeye Name: 5-[(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)methyl]-2-phenyl-benzoic acid CAS Name: 5-[(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)methyl]-2-phenylbenzoic acid IUPAC Name: 5-[(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)methyl]-2-phenylbenzoic acid Traditional Name: 5-[(5-ethyl-6-keto-7,7-dimethyl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)methyl]-2-phenyl-benzoic acid Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC3=C(C=C2C(C1=O)(C)C)NC(=N3)CC4=CC(=C(C=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCN1C2=CC3=C(C=C2C(C1=O)(C)C)NC(=N3)CC4=CC(=C(C=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H25N3O3/c1-4-30-23-15-22-21(14-20(23)27(2,3)26(30)33)28-24(29-22)13-16-10-11-18(19(12-16)25(31)32)17-8-6-5-7-9-17/h5-12,14-15H,4,13H2,1-3H3,(H,28,29)(H,31,32)