(E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-ethoxy-phenyl]-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-ethoxy-phenyl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-3-[4-(2-amino-2-oxo-ethoxy)-3-ethoxy-phenyl]-N-benzyl-2-cyano-prop-2-enamide CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]-N-benzyl-2-cyanoprop-2-enamide Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)-3-ethoxy-phenyl]-N-benzyl-2-cyano-acrylamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)OCC(=O)N

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2)OCC(=O)N

InChI

InChI=1S/C21H21N3O4/c1-2-27-19-11-16(8-9-18(19)28-14-20(23)25)10-17(12-22)21(26)24-13-15-6-4-3-5-7-15/h3-11H,2,13-14H2,1H3,(H2,23,25)(H,24,26)/b17-10+