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

Systemtic Name: 3-methylbutyl 4-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]benzoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[[(E)-2-cyano-3-phenylprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-phenyl-acryloyl]amino]benzoic acid isoamyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-16(2)12-13-27-22(26)18-8-10-20(11-9-18)24-21(25)19(15-23)14-17-6-4-3-5-7-17/h3-11,14,16H,12-13H2,1-2H3,(H,24,25)/b19-14+