1-cyclopropyl-6,8-bis(fluoranyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(1-tert-butoxycarbonyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-7-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(1-tert-butoxycarbonyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H29F2N3O5 MolecularWeight: 489.511666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC2C1CN(C2)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC2C1CN(C2)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C25H29F2N3O5/c1-25(2,3)35-24(34)29-8-4-5-13-10-28(12-18(13)29)21-17(26)9-15-20(19(21)27)30(14-6-7-14)11-16(22(15)31)23(32)33/h9,11,13-14,18H,4-8,10,12H2,1-3H3,(H,32,33)