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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 2-[[(E)-3-(4-amoxy-3-methoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid ethyl ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OCC)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)OCC)OC

InChI

InChI=1S/C25H28N2O5/c1-4-6-9-14-32-22-13-12-18(16-23(22)30-3)15-19(17-26)24(28)27-21-11-8-7-10-20(21)25(29)31-5-2/h7-8,10-13,15-16H,4-6,9,14H2,1-3H3,(H,27,28)/b19-15+