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

Systemtic Name: (3-acetyloxy-5-cyano-phenyl) 4-(2-methylpropanoylamino)benzoate Openeye Name: (3-acetoxy-5-cyano-phenyl) 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid (3-acetyloxy-5-cyanophenyl) ester IUPAC Name: (3-acetyloxy-5-cyanophenyl) 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid (3-acetoxy-5-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=CC(=CC(=C2)C#N)OC(=O)C

Isomeric SMILES

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

InChI

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