1-cyclopropyl-7-fluoranyl-9-methyl-8-[(3S,4S)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-fluoranyl-9-methyl-8-[(3S,4S)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 8-[(3S,4S)-3-(tert-butoxycarbonylamino)-4-methyl-1-piperidyl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-cyclopropyl-7-fluoro-9-methyl-8-[(3S,4S)-4-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-fluoro-9-methyl-8-[(3S,4S)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 8-[(3S,4S)-3-(tert-butoxycarbonylamino)-4-methyl-piperidino]-1-cyclopropyl-7-fluoro-4-keto-9-methyl-quinolizine-3-carboxylic acid Formula: C25H32FN3O5 MolecularWeight: 473.537083

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1NC(=O)OC(C)(C)C)C2=C(C3=C(C=C(C(=O)N3C=C2F)C(=O)O)C4CC4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32FN3O5/c1-13-8-9-28(12-19(13)27-24(33)34-25(3,4)5)21-14(2)20-16(15-6-7-15)10-17(23(31)32)22(30)29(20)11-18(21)26/h10-11,13,15,19H,6-9,12H2,1-5H3,(H,27,33)(H,31,32)/t13-,19+/m0/s1