hexyl 4-[[(E)-3-(4-chlorophenyl)-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: hexyl 4-[[(E)-3-(4-chlorophenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: hexyl 4-[[(E)-3-(4-chlorophenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(4-chlorophenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(4-chlorophenyl)-2-cyano-acryloyl]amino]benzoic acid hexyl ester Formula: C23H23ClN2O3 MolecularWeight: 410.89332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O3/c1-2-3-4-5-14-29-23(28)18-8-12-21(13-9-18)26-22(27)19(16-25)15-17-6-10-20(24)11-7-17/h6-13,15H,2-5,14H2,1H3,(H,26,27)/b19-15+