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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2OCC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2OCC3=CC=CC=C3)/C#N

InChI

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