ethyl 8-(acetyloxymethyl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylate

Systemtic Name: ethyl 8-(acetyloxymethyl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylate Openeye Name: ethyl 8-(acetoxymethyl)-7-(4-benzylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 8-(acetyloxymethyl)-1-cyclopropyl-6-fluoro-4-oxo-7-[4-(phenylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-(acetyloxymethyl)-7-(4-benzylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 8-(acetoxymethyl)-7-(4-benzylpiperazino)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C29H32FN3O5 MolecularWeight: 521.579883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCN(CC3)CC4=CC=CC=C4)COC(=O)C)C5CC5

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCN(CC3)CC4=CC=CC=C4)COC(=O)C)C5CC5

InChI

InChI=1S/C29H32FN3O5/c1-3-37-29(36)23-17-33(21-9-10-21)26-22(28(23)35)15-25(30)27(24(26)18-38-19(2)34)32-13-11-31(12-14-32)16-20-7-5-4-6-8-20/h4-8,15,17,21H,3,9-14,16,18H2,1-2H3