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

Systemtic Name: 3-methylbutyl 4-[[(E)-3-(4-chlorophenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[[(E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(4-chlorophenyl)-2-cyano-acryloyl]amino]benzoic acid isoamyl ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O3/c1-15(2)11-12-28-22(27)17-5-9-20(10-6-17)25-21(26)18(14-24)13-16-3-7-19(23)8-4-16/h3-10,13,15H,11-12H2,1-2H3,(H,25,26)/b18-13+