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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OCC)OC)C#N

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)OCC)OC)/C#N

InChI

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