[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 7-fluoranyl-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 7-fluoranyl-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxylate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate CAS Name: 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic 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] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate Traditional Name: 7-fluoro-2-keto-3,4-dihydro-1H-quinoline-4-carboxylic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H21FN2O4 MolecularWeight: 384.400843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2CC(=O)NC3=C2C=CC(=C3)F

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2CC(=O)NC3=C2C=CC(=C3)F

InChI

InChI=1S/C21H21FN2O4/c1-4-7-24-12(2)8-16(13(24)3)19(25)11-28-21(27)17-10-20(26)23-18-9-14(22)5-6-15(17)18/h4-6,8-9,17H,1,7,10-11H2,2-3H3,(H,23,26)