1-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-4-naphthalen-1-yl-pyrrole-3-carboxylic acid

Systemtic Name: 1-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-4-naphthalen-1-yl-pyrrole-3-carboxylic acid Openeye Name: 1-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-4-(1-naphthyl)pyrrole-3-carboxylic acid CAS Name: 1-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-4-(1-naphthalenyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-4-naphthalen-1-ylpyrrole-3-carboxylic acid Traditional Name: 1-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl]-4-(1-naphthyl)pyrrole-3-carboxylic acid Formula: C27H20N4O2 MolecularWeight: 432.4733

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=CN(C=C3C(=O)O)C(CC4=CC=C(C=C4)C#N)C5=CN=CN5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=CN(C=C3C(=O)O)C(CC4=CC=C(C=C4)C#N)C5=CN=CN5

InChI

InChI=1S/C27H20N4O2/c28-13-19-10-8-18(9-11-19)12-26(25-14-29-17-30-25)31-15-23(24(16-31)27(32)33)22-7-3-5-20-4-1-2-6-21(20)22/h1-11,14-17,26H,12H2,(H,29,30)(H,32,33)