4-cyano-2-phenyl-4-pyridin-3-yl-butanoate

Systemtic Name: 4-cyano-2-phenyl-4-pyridin-3-yl-butanoate Openeye Name: 4-cyano-2-phenyl-4-(3-pyridyl)butanoate CAS Name: 4-cyano-2-phenyl-4-(3-pyridinyl)butanoate IUPAC Name: 4-cyano-2-phenyl-4-pyridin-3-ylbutanoate Traditional Name: 4-cyano-2-phenyl-4-(3-pyridyl)butyrate Formula: C16H13N2O2- MolecularWeight: 265.28662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(C#N)C2=CN=CC=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(CC(C#N)C2=CN=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H14N2O2/c17-10-14(13-7-4-8-18-11-13)9-15(16(19)20)12-5-2-1-3-6-12/h1-8,11,14-15H,9H2,(H,19,20)/p-1