methyl 2-[2-(4-fluorophenyl)ethyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: methyl 2-[2-(4-fluorophenyl)ethyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: methyl 5-(tert-butoxycarbonylamino)-2-[2-(4-fluorophenyl)ethyl]benzoate CAS Name: 2-[2-(4-fluorophenyl)ethyl]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(4-fluorophenyl)ethyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 5-(tert-butoxycarbonylamino)-2-[2-(4-fluorophenyl)ethyl]benzoic acid methyl ester Formula: C21H24FNO4 MolecularWeight: 373.417963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC(=C(C=C1)CCC2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC(=C(C=C1)CCC2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C21H24FNO4/c1-21(2,3)27-20(25)23-17-12-9-15(18(13-17)19(24)26-4)8-5-14-6-10-16(22)11-7-14/h6-7,9-13H,5,8H2,1-4H3,(H,23,25)