[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)carbonylamino]ethanoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)carbonylamino]ethanoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[(4-fluorobenzoyl)amino]acetate CAS Name: 2-[[(4-fluorophenyl)-oxomethyl]amino]acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate Traditional Name: 2-[(4-fluorobenzoyl)amino]acetic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H21FN2O4 MolecularWeight: 372.390143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H21FN2O4/c1-4-9-23-13(2)10-17(14(23)3)18(24)12-27-19(25)11-22-20(26)15-5-7-16(21)8-6-15/h4-8,10H,1,9,11-12H2,2-3H3,(H,22,26)