4-[[(E)-2-cyano-3-(4-hexoxyphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-2-cyano-3-(4-hexoxyphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-(4-hexoxyphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-(4-hexoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-(4-hexoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-(4-hexoxyphenyl)acryloyl]amino]benzoic acid Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C23H24N2O4/c1-2-3-4-5-14-29-21-12-6-17(7-13-21)15-19(16-24)22(26)25-20-10-8-18(9-11-20)23(27)28/h6-13,15H,2-5,14H2,1H3,(H,25,26)(H,27,28)/b19-15+