ethyl 4-[[(E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-3-(4-benzyloxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-1-oxo-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(4-benzoxyphenyl)-2-cyano-acryloyl]amino]benzoic acid ethyl ester Formula: C26H22N2O4 MolecularWeight: 426.46388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC=CC=C3)/C#N

InChI

InChI=1S/C26H22N2O4/c1-2-31-26(30)21-10-12-23(13-11-21)28-25(29)22(17-27)16-19-8-14-24(15-9-19)32-18-20-6-4-3-5-7-20/h3-16H,2,18H2,1H3,(H,28,29)/b22-16+