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

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(2-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(2-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-1-oxo-3-(2-prop-2-ynoxyphenyl)prop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(2-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(2-propargyloxyphenyl)acryloyl]amino]benzoic acid ethyl ester Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2OCC#C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2OCC#C)/C#N

InChI

InChI=1S/C22H18N2O4/c1-3-13-28-20-8-6-5-7-17(20)14-18(15-23)21(25)24-19-11-9-16(10-12-19)22(26)27-4-2/h1,5-12,14H,4,13H2,2H3,(H,24,25)/b18-14+