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

Systemtic Name: ethyl 3-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 3-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 3-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)acryloyl]amino]benzoic acid ethyl ester Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O5/c1-4-6-7-8-14-33-23-13-12-19(16-24(23)31-3)15-21(18-27)25(29)28-22-11-9-10-20(17-22)26(30)32-5-2/h9-13,15-17H,4-8,14H2,1-3H3,(H,28,29)/b21-15+