methyl 3-[[3-(2,2-dimethylpropanoylamino)phenyl]carbonylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[[3-(2,2-dimethylpropanoylamino)phenyl]carbonylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-4-fluoro-benzoate CAS Name: 3-[[[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-oxomethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-4-fluorobenzoate Traditional Name: 4-fluoro-3-[[3-(pivaloylamino)benzoyl]amino]benzoic acid methyl ester Formula: C20H21FN2O4 MolecularWeight: 372.390143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)F

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)F

InChI

InChI=1S/C20H21FN2O4/c1-20(2,3)19(26)22-14-7-5-6-12(10-14)17(24)23-16-11-13(18(25)27-4)8-9-15(16)21/h5-11H,1-4H3,(H,22,26)(H,23,24)