methyl 2-[[(E)-3-(4-tert-butylphenyl)-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 2-[[(E)-3-(4-tert-butylphenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: methyl 2-[[(E)-3-(4-tert-butylphenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 2-[[(E)-3-(4-tert-butylphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-tert-butylphenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 2-[[(E)-3-(4-tert-butylphenyl)-2-cyano-acryloyl]amino]benzoic acid methyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C22H22N2O3/c1-22(2,3)17-11-9-15(10-12-17)13-16(14-23)20(25)24-19-8-6-5-7-18(19)21(26)27-4/h5-13H,1-4H3,(H,24,25)/b16-13+