propyl 3-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: propyl 3-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzoate Openeye Name: propyl 3-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzoate CAS Name: 3-[[(E)-2-cyano-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-2-cyano-3-p-phenetyl-acryloyl]amino]benzoic acid propyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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