tert-butyl 3-[2-cyano-4-fluoranyl-3-(oxidanylidenemethylidene)pyrrolidin-1-yl]-7-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[2-cyano-4-fluoranyl-3-(oxidanylidenemethylidene)pyrrolidin-1-yl]-7-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[2-cyano-4-fluoro-3-(oxomethylene)pyrrolidin-1-yl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[2-cyano-4-fluoro-3-(oxomethylidene)-1-pyrrolidinyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-cyano-4-fluoro-3-(oxomethylidene)pyrrolidin-1-yl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[2-cyano-4-fluoro-3-(ketomethylene)pyrrolidino]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C20H22FN3O4 MolecularWeight: 387.404783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(CC1N3CC(C(=C=O)C3C#N)F)C=CC(=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(CC1N3CC(C(=C=O)C3C#N)F)C=CC(=C2)O

InChI

InChI=1S/C20H22FN3O4/c1-20(2,3)28-19(27)24-9-13-6-14(26)5-4-12(13)7-18(24)23-10-16(21)15(11-25)17(23)8-22/h4-6,16-18,26H,7,9-10H2,1-3H3