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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OCCC(C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)OCCC(C)C)OC

InChI

InChI=1S/C25H28N2O5/c1-5-31-22-11-6-18(15-23(22)30-4)14-20(16-26)24(28)27-21-9-7-19(8-10-21)25(29)32-13-12-17(2)3/h6-11,14-15,17H,5,12-13H2,1-4H3,(H,27,28)/b20-14+