1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-yl-pyrrole-3-carboxylic acid

Systemtic Name: 1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-yl-pyrrole-3-carboxylic acid Openeye Name: 1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-4-(1-naphthyl)pyrrole-3-carboxylic acid CAS Name: 1-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]-4-(1-naphthalenyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrole-3-carboxylic acid Traditional Name: 1-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]-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)CC4=CN=CN4CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=CN(C=C3C(=O)O)CC4=CN=CN4CC5=CC=C(C=C5)C#N

InChI

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