(5-acetyloxy-2-cyano-phenyl) 4-(2-methylpropanoylamino)benzoate

Systemtic Name: (5-acetyloxy-2-cyano-phenyl) 4-(2-methylpropanoylamino)benzoate Openeye Name: (5-acetoxy-2-cyano-phenyl) 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid (5-acetyloxy-2-cyanophenyl) ester IUPAC Name: (5-acetyloxy-2-cyanophenyl) 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid (5-acetoxy-2-cyano-phenyl) ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)OC(=O)C)C#N

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)OC(=O)C)C#N

InChI

InChI=1S/C20H18N2O5/c1-12(2)19(24)22-16-7-4-14(5-8-16)20(25)27-18-10-17(26-13(3)23)9-6-15(18)11-21/h4-10,12H,1-3H3,(H,22,24)