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

Systemtic Name: 1-cyclopropyl-8-[3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methyl-pyrrolidin-1-yl]-7-fluoranyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 8-[3-[tert-butoxycarbonyl(cyclopropyl)amino]-4-methyl-pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-cyclopropyl-8-[3-[cyclopropyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-methyl-1-pyrrolidinyl]-7-fluoro-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-[3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpyrrolidin-1-yl]-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 8-[3-[tert-butoxycarbonyl(cyclopropyl)amino]-4-methyl-pyrrolidino]-1-cyclopropyl-7-fluoro-4-keto-9-methyl-quinolizine-3-carboxylic acid Formula: C27H34FN3O5 MolecularWeight: 499.574363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1N(C2CC2)C(=O)OC(C)(C)C)C3=C(C4=C(C=C(C(=O)N4C=C3F)C(=O)O)C5CC5)C

Isomeric SMILES

CC1CN(CC1N(C2CC2)C(=O)OC(C)(C)C)C3=C(C4=C(C=C(C(=O)N4C=C3F)C(=O)O)C5CC5)C

InChI

InChI=1S/C27H34FN3O5/c1-14-11-29(13-21(14)31(17-8-9-17)26(35)36-27(3,4)5)23-15(2)22-18(16-6-7-16)10-19(25(33)34)24(32)30(22)12-20(23)28/h10,12,14,16-17,21H,6-9,11,13H2,1-5H3,(H,33,34)