(phenylmethyl) (4aR,7aR)-6-(9-cyclopropyl-7-ethoxycarbonyl-3-fluoranyl-1-methyl-6-oxidanylidene-quinolizin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carboxylate

Systemtic Name: (phenylmethyl) (4aR,7aR)-6-(9-cyclopropyl-7-ethoxycarbonyl-3-fluoranyl-1-methyl-6-oxidanylidene-quinolizin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carboxylate Openeye Name: benzyl (4aR,7aR)-6-(9-cyclopropyl-7-ethoxycarbonyl-3-fluoro-1-methyl-6-oxo-quinolizin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carboxylate CAS Name: (4aR,7aR)-6-(9-cyclopropyl-7-ethoxycarbonyl-3-fluoro-1-methyl-6-oxo-2-quinolizinyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4aR,7aR)-6-(9-cyclopropyl-7-ethoxycarbonyl-3-fluoro-1-methyl-6-oxoquinolizin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carboxylate Traditional Name: (4aR,7aR)-6-(7-carbethoxy-9-cyclopropyl-3-fluoro-6-keto-1-methyl-quinolizin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-4-carboxylic acid benzyl ester Formula: C30H32FN3O6 MolecularWeight: 549.589983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C(=C(C(=CN2C1=O)F)N3CC4C(C3)OCCN4C(=O)OCC5=CC=CC=C5)C)C6CC6

Isomeric SMILES

CCOC(=O)C1=CC(=C2C(=C(C(=CN2C1=O)F)N3C[C@@H]4[C@@H](C3)OCCN4C(=O)OCC5=CC=CC=C5)C)C6CC6

InChI

InChI=1S/C30H32FN3O6/c1-3-38-29(36)22-13-21(20-9-10-20)26-18(2)27(23(31)14-34(26)28(22)35)32-15-24-25(16-32)39-12-11-33(24)30(37)40-17-19-7-5-4-6-8-19/h4-8,13-14,20,24-25H,3,9-12,15-17H2,1-2H3/t24-,25-/m1/s1