(phenylmethyl) 2-[(7-fluoranyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(7-fluoranyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(7-fluoro-3-keto-4-propargyl-1,4-benzoxazin-6-yl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C24H22FN3O5 MolecularWeight: 451.446983

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)COC2=CC(=C(C=C21)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4)F

Isomeric SMILES

C#CCN1C(=O)COC2=CC(=C(C=C21)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4)F

InChI

InChI=1S/C24H22FN3O5/c1-2-10-27-20-13-18(17(25)12-21(20)32-15-22(27)29)26-23(30)19-9-6-11-28(19)24(31)33-14-16-7-4-3-5-8-16/h1,3-5,7-8,12-13,19H,6,9-11,14-15H2,(H,26,30)