tert-butyl 4-[3,3-diethyl-1-[(4-fluorophenyl)carbamoyl]-4-oxidanylidene-azetidin-2-yl]oxybenzoate

Systemtic Name: tert-butyl 4-[3,3-diethyl-1-[(4-fluorophenyl)carbamoyl]-4-oxidanylidene-azetidin-2-yl]oxybenzoate Openeye Name: tert-butyl 4-[3,3-diethyl-1-[(4-fluorophenyl)carbamoyl]-4-oxo-azetidin-2-yl]oxybenzoate CAS Name: 4-[[3,3-diethyl-1-[(4-fluoroanilino)-oxomethyl]-4-oxo-2-azetidinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3,3-diethyl-1-[(4-fluorophenyl)carbamoyl]-4-oxoazetidin-2-yl]oxybenzoate Traditional Name: 4-[3,3-diethyl-1-[(4-fluorophenyl)carbamoyl]-4-keto-azetidin-2-yl]oxybenzoic acid tert-butyl ester Formula: C25H29FN2O5 MolecularWeight: 456.506563

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(C1=O)C(=O)NC2=CC=C(C=C2)F)OC3=CC=C(C=C3)C(=O)OC(C)(C)C)CC

Isomeric SMILES

CCC1(C(N(C1=O)C(=O)NC2=CC=C(C=C2)F)OC3=CC=C(C=C3)C(=O)OC(C)(C)C)CC

InChI

InChI=1S/C25H29FN2O5/c1-6-25(7-2)21(30)28(23(31)27-18-12-10-17(26)11-13-18)22(25)32-19-14-8-16(9-15-19)20(29)33-24(3,4)5/h8-15,22H,6-7H2,1-5H3,(H,27,31)