pentyl 4-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: pentyl 4-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate Openeye Name: pentyl 4-[[(E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-p-cumenyl-acryloyl]amino]benzoic acid amyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3/c1-4-5-6-15-30-25(29)21-11-13-23(14-12-21)27-24(28)22(17-26)16-19-7-9-20(10-8-19)18(2)3/h7-14,16,18H,4-6,15H2,1-3H3,(H,27,28)/b22-16+