1-cyclopropyl-7-[4-(4,4-diphosphonobutanoyloxymethoxycarbonyl)-3-methyl-piperazin-1-yl]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid; 2,6-dimethylpyridine

Systemtic Name: 1-cyclopropyl-7-[4-(4,4-diphosphonobutanoyloxymethoxycarbonyl)-3-methyl-piperazin-1-yl]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid; 2,6-dimethylpyridine Openeye Name: 1-cyclopropyl-7-[4-(4,4-diphosphonobutanoyloxymethoxycarbonyl)-3-methyl-piperazin-1-yl]-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid; 2,6-dimethylpyridine CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[oxo-[(1-oxo-4,4-diphosphonobutoxy)methoxy]methyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid; 2,6-dimethylpyridine IUPAC Name: 1-cyclopropyl-7-[4-(4,4-diphosphonobutanoyloxymethoxycarbonyl)-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid; 2,6-dimethylpyridine Traditional Name: 1-cyclopropyl-7-[4-(4,4-diphosphonobutanoyloxymethoxycarbonyl)-3-methyl-piperazino]-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid; 2,6-lutidine Formula: C32H41FN4O14P2 MolecularWeight: 786.632265

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)OCOC(=O)CCC(P(=O)(O)O)P(=O)(O)O)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.CC1=NC(=CC=C1)C

Isomeric SMILES

CC1CN(CCN1C(=O)OCOC(=O)CCC(P(=O)(O)O)P(=O)(O)O)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.CC1=NC(=CC=C1)C

InChI

InChI=1S/C25H32FN3O14P2.C7H9N/c1-13-10-27(7-8-28(13)25(34)43-12-42-18(30)5-6-19(44(35,36)37)45(38,39)40)21-17(26)9-15-20(23(21)41-2)29(14-3-4-14)11-16(22(15)31)24(32)33;1-6-4-3-5-7(2)8-6/h9,11,13-14,19H,3-8,10,12H2,1-2H3,(H,32,33)(H2,35,36,37)(H2,38,39,40);3-5H,1-2H3