ethyl (E)-2-cyano-3-[4-(2-ethylhexoxycarbonylamino)phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[4-(2-ethylhexoxycarbonylamino)phenyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[4-(2-ethylhexoxycarbonylamino)phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-[[2-ethylhexoxy(oxo)methyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[4-(2-ethylhexoxycarbonylamino)phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-(2-ethylhexoxycarbonylamino)phenyl]acrylic acid ethyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)NC1=CC=C(C=C1)C=C(C#N)C(=O)OCC

Isomeric SMILES

CCCCC(CC)COC(=O)NC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC

InChI

InChI=1S/C21H28N2O4/c1-4-7-8-16(5-2)15-27-21(25)23-19-11-9-17(10-12-19)13-18(14-22)20(24)26-6-3/h9-13,16H,4-8,15H2,1-3H3,(H,23,25)/b18-13+