4-[[(E)-3-(4-butoxy-3-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: 4-[[(E)-3-(4-butoxy-3-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-3-(4-butoxy-3-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(4-butoxy-3-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-3-(4-butoxy-3-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(4-butoxy-3-methoxy-phenyl)-2-cyano-acryloyl]amino]benzoate Formula: C22H21N2O5- MolecularWeight: 393.41254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/c1-3-4-11-29-19-10-5-15(13-20(19)28-2)12-17(14-23)21(25)24-18-8-6-16(7-9-18)22(26)27/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25)(H,26,27)/p-1/b17-12+