ethyl 4-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-1-oxo-3-(4-pentoxyphenyl)prop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(4-amoxyphenyl)-2-cyano-acryloyl]amino]benzoic acid ethyl ester Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C24H26N2O4/c1-3-5-6-15-30-22-13-7-18(8-14-22)16-20(17-25)23(27)26-21-11-9-19(10-12-21)24(28)29-4-2/h7-14,16H,3-6,15H2,1-2H3,(H,26,27)/b20-16+