ethyl 2-chloranyl-6-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-6-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: ethyl 3-(tert-butoxycarbonylamino)-2-chloro-6-(3-fluorophenyl)benzoate CAS Name: 2-chloro-6-(3-fluorophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-6-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 3-(tert-butoxycarbonylamino)-2-chloro-6-(3-fluorophenyl)benzoic acid ethyl ester Formula: C20H21ClFNO4 MolecularWeight: 393.836443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1Cl)NC(=O)OC(C)(C)C)C2=CC(=CC=C2)F

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1Cl)NC(=O)OC(C)(C)C)C2=CC(=CC=C2)F

InChI

InChI=1S/C20H21ClFNO4/c1-5-26-18(24)16-14(12-7-6-8-13(22)11-12)9-10-15(17(16)21)23-19(25)27-20(2,3)4/h6-11H,5H2,1-4H3,(H,23,25)