cyanomethyl 5-[tris(4-chlorophenyl)methyl]pyridine-2-carboxylate

Systemtic Name: cyanomethyl 5-[tris(4-chlorophenyl)methyl]pyridine-2-carboxylate Openeye Name: cyanomethyl 5-[tris(4-chlorophenyl)methyl]pyridine-2-carboxylate CAS Name: 5-[tris(4-chlorophenyl)methyl]-2-pyridinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 5-[tris(4-chlorophenyl)methyl]pyridine-2-carboxylate Traditional Name: 5-[tris(4-chlorophenyl)methyl]picolinic acid cyanomethyl ester Formula: C27H17Cl3N2O2 MolecularWeight: 507.79508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)C4=CN=C(C=C4)C(=O)OCC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)C4=CN=C(C=C4)C(=O)OCC#N)Cl

InChI

InChI=1S/C27H17Cl3N2O2/c28-22-8-1-18(2-9-22)27(19-3-10-23(29)11-4-19,20-5-12-24(30)13-6-20)21-7-14-25(32-17-21)26(33)34-16-15-31/h1-14,17H,16H2