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

Systemtic Name: hexyl 4-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O3/c1-4-5-6-7-16-31-26(30)22-12-14-24(15-13-22)28-25(29)23(18-27)17-20-8-10-21(11-9-20)19(2)3/h8-15,17,19H,4-7,16H2,1-3H3,(H,28,29)/b23-17+