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

Systemtic Name: 8-cyano-1-cyclopropyl-7-[1-(3-ethoxy-3-oxidanylidene-propyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-cyano-1-cyclopropyl-7-[1-(3-ethoxy-3-oxo-propyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-cyano-1-cyclopropyl-7-[1-(3-ethoxy-3-oxopropyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-cyano-1-cyclopropyl-7-[1-(3-ethoxy-3-oxopropyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-cyano-1-cyclopropyl-7-[1-(3-ethoxy-3-keto-propyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C26H29FN4O5 MolecularWeight: 496.530663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CCCC2C1CN(C2)C3=C(C=C4C(=C3C#N)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CCOC(=O)CCN1CCCC2C1CN(C2)C3=C(C=C4C(=C3C#N)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C26H29FN4O5/c1-2-36-22(32)7-9-29-8-3-4-15-12-30(14-21(15)29)24-18(11-28)23-17(10-20(24)27)25(33)19(26(34)35)13-31(23)16-5-6-16/h10,13,15-16,21H,2-9,12,14H2,1H3,(H,34,35)