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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

InChI

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