(4-butan-2-ylphenyl) (E)-2-cyano-3-[4-[methanoyl(methyl)amino]phenyl]prop-2-enoate

Systemtic Name: (4-butan-2-ylphenyl) (E)-2-cyano-3-[4-[methanoyl(methyl)amino]phenyl]prop-2-enoate Openeye Name: (4-sec-butylphenyl) (E)-2-cyano-3-[4-[formyl(methyl)amino]phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-[formyl(methyl)amino]phenyl]-2-propenoic acid (4-butan-2-ylphenyl) ester IUPAC Name: (4-butan-2-ylphenyl) (E)-2-cyano-3-[4-[formyl(methyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-[formyl(methyl)amino]phenyl]acrylic acid (4-sec-butylphenyl) ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OC(=O)C(=CC2=CC=C(C=C2)N(C)C=O)C#N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OC(=O)/C(=C/C2=CC=C(C=C2)N(C)C=O)/C#N

InChI

InChI=1S/C22H22N2O3/c1-4-16(2)18-7-11-21(12-8-18)27-22(26)19(14-23)13-17-5-9-20(10-6-17)24(3)15-25/h5-13,15-16H,4H2,1-3H3/b19-13+