methyl 4-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

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