(phenylmethyl) (E)-2-cyano-3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate

Systemtic Name: (phenylmethyl) (E)-2-cyano-3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate Openeye Name: benzyl (E)-2-cyano-3-[3-ethoxy-4-(2-morpholinoethoxy)phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-2-propenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-2-cyano-3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-ethoxy-4-(2-morpholinoethoxy)phenyl]acrylic acid benzyl ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC2=CC=CC=C2)OCCN3CCOCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OCC2=CC=CC=C2)OCCN3CCOCC3

InChI

InChI=1S/C25H28N2O5/c1-2-30-24-17-21(8-9-23(24)31-15-12-27-10-13-29-14-11-27)16-22(18-26)25(28)32-19-20-6-4-3-5-7-20/h3-9,16-17H,2,10-15,19H2,1H3/b22-16+