5-azanyl-7-(2-azanyl-3,3-dimethyl-4-phenylmethoxycarbonyl-piperidin-1-yl)-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-7-(2-azanyl-3,3-dimethyl-4-phenylmethoxycarbonyl-piperidin-1-yl)-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-(2-amino-4-benzyloxycarbonyl-3,3-dimethyl-1-piperidyl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-(2-amino-3,3-dimethyl-4-phenylmethoxycarbonyl-1-piperidinyl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-(2-amino-3,3-dimethyl-4-phenylmethoxycarbonylpiperidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-(2-amino-4-carbobenzoxy-3,3-dimethyl-piperidino)-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C29H33FN4O6 MolecularWeight: 552.593923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCN(C1N)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)OC)C(=O)OCC5=CC=CC=C5)C

Isomeric SMILES

CC1(C(CCN(C1N)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)OC)C(=O)OCC5=CC=CC=C5)C

InChI

InChI=1S/C29H33FN4O6/c1-29(2)18(27(38)40-14-15-7-5-4-6-8-15)11-12-33(28(29)32)23-20(30)21(31)19-22(25(23)39-3)34(16-9-10-16)13-17(24(19)35)26(36)37/h4-8,13,16,18,28H,9-12,14,31-32H2,1-3H3,(H,36,37)