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

Systemtic Name: 2-methylpropyl (2E)-3-oxidanylidene-2-[[(3-pyridin-4-ylphenyl)amino]methylidene]butanoate Openeye Name: isobutyl (2E)-3-oxo-2-[[3-(4-pyridyl)anilino]methylene]butanoate CAS Name: (2E)-3-oxo-2-[(3-pyridin-4-ylanilino)methylidene]butanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (2E)-3-oxo-2-[(3-pyridin-4-ylanilino)methylidene]butanoate Traditional Name: (E)-2-acetyl-3-[3-(4-pyridyl)anilino]acrylic acid isobutyl ester Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c1-14(2)13-25-20(24)19(15(3)23)12-22-18-6-4-5-17(11-18)16-7-9-21-10-8-16/h4-12,14,22H,13H2,1-3H3/b19-12+