ethyl 1-cyclopropyl-8-[(3S,4S)-3-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-8-[(3S,4S)-3-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylate Openeye Name: ethyl 8-[(3S,4S)-3-(tert-butoxycarbonylamino)-4-cyclopropyl-pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylate CAS Name: 1-cyclopropyl-8-[(3S,4S)-3-cyclopropyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]-7-fluoro-9-methyl-4-oxo-3-quinolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-8-[(3S,4S)-3-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate Traditional Name: 8-[(3S,4S)-3-(tert-butoxycarbonylamino)-4-cyclopropyl-pyrrolidino]-1-cyclopropyl-7-fluoro-4-keto-9-methyl-quinolizine-3-carboxylic acid ethyl ester Formula: C28H36FN3O5 MolecularWeight: 513.600943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C(=C(C(=CN2C1=O)F)N3CC(C(C3)NC(=O)OC(C)(C)C)C4CC4)C)C5CC5

Isomeric SMILES

CCOC(=O)C1=CC(=C2C(=C(C(=CN2C1=O)F)N3C[C@@H]([C@@H](C3)NC(=O)OC(C)(C)C)C4CC4)C)C5CC5

InChI

InChI=1S/C28H36FN3O5/c1-6-36-26(34)19-11-18(16-7-8-16)23-15(2)24(21(29)13-32(23)25(19)33)31-12-20(17-9-10-17)22(14-31)30-27(35)37-28(3,4)5/h11,13,16-17,20,22H,6-10,12,14H2,1-5H3,(H,30,35)/t20-,22-/m1/s1