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

Systemtic Name: ethyl 8-(acetyloxymethyl)-1-cyclopropyl-6-fluoranyl-7-[3-methyl-4-(phenylmethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 8-(acetoxymethyl)-7-(4-benzyl-3-methyl-piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 8-(acetyloxymethyl)-1-cyclopropyl-6-fluoro-7-[3-methyl-4-(phenylmethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-(acetyloxymethyl)-7-(4-benzyl-3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 8-(acetoxymethyl)-7-(4-benzyl-3-methyl-piperazino)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C30H34FN3O5 MolecularWeight: 535.606463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCN(C(C3)C)CC4=CC=CC=C4)COC(=O)C)C5CC5

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCN(C(C3)C)CC4=CC=CC=C4)COC(=O)C)C5CC5

InChI

InChI=1S/C30H34FN3O5/c1-4-38-30(37)24-17-34(22-10-11-22)27-23(29(24)36)14-26(31)28(25(27)18-39-20(3)35)33-13-12-32(19(2)15-33)16-21-8-6-5-7-9-21/h5-9,14,17,19,22H,4,10-13,15-16,18H2,1-3H3