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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanyl-7-[4-[7-oxidanylidene-7-phenylmethoxy-2-(phenylmethoxycarbonylamino)heptanoyl]piperazin-1-yl]-4H-quinoline-3-carboxylic acid Openeye Name: 7-[4-[7-benzyloxy-2-(benzyloxycarbonylamino)-7-oxo-heptanoyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-hydroxy-4H-quinoline-3-carboxylic acid CAS Name: 7-[4-[1,7-dioxo-7-phenylmethoxy-2-(phenylmethoxycarbonylamino)heptyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-hydroxy-4H-quinoline-3-carboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-hydroxy-7-[4-[7-oxo-7-phenylmethoxy-2-(phenylmethoxycarbonylamino)heptanoyl]piperazin-1-yl]-4H-quinoline-3-carboxylic acid Traditional Name: 7-[4-[7-benzoxy-2-(benzyloxycarbonylamino)-7-keto-heptanoyl]piperazino]-1-ethyl-6-fluoro-4-hydroxy-4H-quinoline-3-carboxylic acid Formula: C38H43FN4O8 MolecularWeight: 702.768423

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C38H43FN4O8/c1-2-41-23-29(37(47)48)35(45)28-21-30(39)33(22-32(28)41)42-17-19-43(20-18-42)36(46)31(40-38(49)51-25-27-13-7-4-8-14-27)15-9-10-16-34(44)50-24-26-11-5-3-6-12-26/h3-8,11-14,21-23,31,35,45H,2,9-10,15-20,24-25H2,1H3,(H,40,49)(H,47,48)