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

Systemtic Name: (phenylmethyl) (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: benzyl (E)-3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2-cyano-2-propenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]-2-cyano-acrylic acid benzyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC2=CC=CC=C2)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OCC2=CC=CC=C2)OCC(=O)N

InChI

InChI=1S/C20H18N2O5/c1-25-18-10-15(7-8-17(18)26-13-19(22)23)9-16(11-21)20(24)27-12-14-5-3-2-4-6-14/h2-10H,12-13H2,1H3,(H2,22,23)/b16-9+