hexyl (2E)-3-oxidanylidene-2-[[(3-pyridin-4-ylphenyl)amino]methylidene]butanoate

Systemtic Name: hexyl (2E)-3-oxidanylidene-2-[[(3-pyridin-4-ylphenyl)amino]methylidene]butanoate Openeye Name: hexyl (2E)-3-oxo-2-[[3-(4-pyridyl)anilino]methylene]butanoate CAS Name: (2E)-3-oxo-2-[(3-pyridin-4-ylanilino)methylidene]butanoic acid hexyl ester IUPAC Name: hexyl (2E)-3-oxo-2-[(3-pyridin-4-ylanilino)methylidene]butanoate Traditional Name: (E)-2-acetyl-3-[3-(4-pyridyl)anilino]acrylic acid hexyl ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(=CNC1=CC=CC(=C1)C2=CC=NC=C2)C(=O)C

Isomeric SMILES

CCCCCCOC(=O)/C(=C/NC1=CC=CC(=C1)C2=CC=NC=C2)/C(=O)C

InChI

InChI=1S/C22H26N2O3/c1-3-4-5-6-14-27-22(26)21(17(2)25)16-24-20-9-7-8-19(15-20)18-10-12-23-13-11-18/h7-13,15-16,24H,3-6,14H2,1-2H3/b21-16+