(2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-benzamido-3-phenyl-propanoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-benzamido-3-phenyl-propanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 3-benzamido-3-phenyl-propanoate CAS Name: 3-benzamido-3-phenylpropanoic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 3-benzamido-3-phenylpropanoate Traditional Name: 3-benzamido-3-phenyl-propionic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C25H21BrN2O4 MolecularWeight: 493.34924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H21BrN2O4/c1-2-31-22-14-17(16-27)13-20(26)24(22)32-23(29)15-21(18-9-5-3-6-10-18)28-25(30)19-11-7-4-8-12-19/h3-14,21H,2,15H2,1H3,(H,28,30)