1-cyclopropyl-7-fluoranyl-9-methyl-8-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonyl-propyl-amino]pyrrolidin-1-yl]-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-fluoranyl-9-methyl-8-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonyl-propyl-amino]pyrrolidin-1-yl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 8-[(3S)-3-[tert-butoxycarbonyl(propyl)amino]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-cyclopropyl-7-fluoro-9-methyl-8-[(3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-propylamino]-1-pyrrolidinyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-fluoro-9-methyl-8-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 8-[(3S)-3-[tert-butoxycarbonyl(propyl)amino]pyrrolidino]-1-cyclopropyl-7-fluoro-4-keto-9-methyl-quinolizine-3-carboxylic acid Formula: C26H34FN3O5 MolecularWeight: 487.563663

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCN(C1)C2=C(C3=C(C=C(C(=O)N3C=C2F)C(=O)O)C4CC4)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCN([C@H]1CCN(C1)C2=C(C3=C(C=C(C(=O)N3C=C2F)C(=O)O)C4CC4)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H34FN3O5/c1-6-10-29(25(34)35-26(3,4)5)17-9-11-28(13-17)22-15(2)21-18(16-7-8-16)12-19(24(32)33)23(31)30(21)14-20(22)27/h12,14,16-17H,6-11,13H2,1-5H3,(H,32,33)/t17-/m0/s1