pentyl 4-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]benzoate

Systemtic Name: pentyl 4-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]benzoate Openeye Name: pentyl 4-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-1-oxo-3-phenylprop-2-enyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[(E)-2-cyano-3-phenylprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-phenyl-acryloyl]amino]benzoic acid amyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2)C#N

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2)/C#N

InChI

InChI=1S/C22H22N2O3/c1-2-3-7-14-27-22(26)18-10-12-20(13-11-18)24-21(25)19(16-23)15-17-8-5-4-6-9-17/h4-6,8-13,15H,2-3,7,14H2,1H3,(H,24,25)/b19-15+