cyanomethyl 5-[(3-bromophenyl)-diphenyl-methyl]pyridine-2-carboxylate

Systemtic Name: cyanomethyl 5-[(3-bromophenyl)-diphenyl-methyl]pyridine-2-carboxylate Openeye Name: cyanomethyl 5-[(3-bromophenyl)-diphenyl-methyl]pyridine-2-carboxylate CAS Name: 5-[(3-bromophenyl)-diphenylmethyl]-2-pyridinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 5-[(3-bromophenyl)-diphenylmethyl]pyridine-2-carboxylate Traditional Name: 5-[(3-bromophenyl)-diphenyl-methyl]picolinic acid cyanomethyl ester Formula: C27H19BrN2O2 MolecularWeight: 483.35596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H19BrN2O2/c28-24-13-7-12-22(18-24)27(20-8-3-1-4-9-20,21-10-5-2-6-11-21)23-14-15-25(30-19-23)26(31)32-17-16-29/h1-15,18-19H,17H2