1-ethyl-6-fluoranyl-4-oxidanyl-7-[4-[6-oxidanylidene-6-phenylmethoxy-2-(phenylmethoxycarbonylamino)hexanoyl]piperazin-1-yl]-4H-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanyl-7-[4-[6-oxidanylidene-6-phenylmethoxy-2-(phenylmethoxycarbonylamino)hexanoyl]piperazin-1-yl]-4H-quinoline-3-carboxylic acid Openeye Name: 7-[4-[6-benzyloxy-2-(benzyloxycarbonylamino)-6-oxo-hexanoyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-hydroxy-4H-quinoline-3-carboxylic acid CAS Name: 7-[4-[1,6-dioxo-6-phenylmethoxy-2-(phenylmethoxycarbonylamino)hexyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-hydroxy-4H-quinoline-3-carboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-hydroxy-7-[4-[6-oxo-6-phenylmethoxy-2-(phenylmethoxycarbonylamino)hexanoyl]piperazin-1-yl]-4H-quinoline-3-carboxylic acid Traditional Name: 7-[4-[6-benzoxy-2-(benzyloxycarbonylamino)-6-keto-hexanoyl]piperazino]-1-ethyl-6-fluoro-4-hydroxy-4H-quinoline-3-carboxylic acid Formula: C37H41FN4O8 MolecularWeight: 688.741843

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C(CCCC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)F)O)C(=O)O

Isomeric SMILES

CCN1C=C(C(C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C(CCCC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)F)O)C(=O)O

InChI

InChI=1S/C37H41FN4O8/c1-2-40-22-28(36(46)47)34(44)27-20-29(38)32(21-31(27)40)41-16-18-42(19-17-41)35(45)30(39-37(48)50-24-26-12-7-4-8-13-26)14-9-15-33(43)49-23-25-10-5-3-6-11-25/h3-8,10-13,20-22,30,34,44H,2,9,14-19,23-24H2,1H3,(H,39,48)(H,46,47)