[2-cyano-5-(dimethylcarbamoyloxy)phenyl] 4-(2-methylpropanoylamino)benzoate

Systemtic Name: [2-cyano-5-(dimethylcarbamoyloxy)phenyl] 4-(2-methylpropanoylamino)benzoate Openeye Name: [2-cyano-5-(dimethylcarbamoyloxy)phenyl] 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid [2-cyano-5-[dimethylamino(oxo)methoxy]phenyl] ester IUPAC Name: [2-cyano-5-(dimethylcarbamoyloxy)phenyl] 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid [2-cyano-5-(dimethylcarbamoyloxy)phenyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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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)N(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-13(2)19(25)23-16-8-5-14(6-9-16)20(26)29-18-11-17(10-7-15(18)12-22)28-21(27)24(3)4/h5-11,13H,1-4H3,(H,23,25)