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

Systemtic Name: pentyl 4-[[(E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5/c1-4-6-7-14-32-25(29)19-9-11-21(12-10-19)27-24(28)20(17-26)15-18-8-13-22(31-5-2)23(16-18)30-3/h8-13,15-16H,4-7,14H2,1-3H3,(H,27,28)/b20-15+