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

Systemtic Name: pentyl 4-[[3-(2-chlorophenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: pentyl 4-[[3-(2-chlorophenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[3-(2-chlorophenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[3-(2-chlorophenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[3-(2-chlorophenyl)-2-cyano-acryloyl]amino]benzoic acid amyl ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2Cl)C#N

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2Cl)C#N

InChI

InChI=1S/C22H21ClN2O3/c1-2-3-6-13-28-22(27)16-9-11-19(12-10-16)25-21(26)18(15-24)14-17-7-4-5-8-20(17)23/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,25,26)