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

Systemtic Name: ethyl 3-[[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 3-[[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]benzoate CAS Name: 3-[[(E)-2-cyano-1-oxo-3-(4-propoxyphenyl)prop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-2-cyano-3-(4-propoxyphenyl)acryloyl]amino]benzoic acid ethyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C(=O)OCC

InChI

InChI=1S/C22H22N2O4/c1-3-12-28-20-10-8-16(9-11-20)13-18(15-23)21(25)24-19-7-5-6-17(14-19)22(26)27-4-2/h5-11,13-14H,3-4,12H2,1-2H3,(H,24,25)/b18-13+