ethyl 4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-1-phenacyl-quinoline-3-carboxylate

Systemtic Name: ethyl 4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-1-phenacyl-quinoline-3-carboxylate Openeye Name: ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacyl-quinoline-3-carboxylate CAS Name: 4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxo-1-phenacyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate Traditional Name: 4-[4-(2-furoyl)piperazino]-2-keto-1-phenacyl-quinoline-3-carboxylic acid ethyl ester Formula: C29H27N3O6 MolecularWeight: 513.54118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC(=O)C3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC(=O)C3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C29H27N3O6/c1-2-37-29(36)25-26(30-14-16-31(17-15-30)27(34)24-13-8-18-38-24)21-11-6-7-12-22(21)32(28(25)35)19-23(33)20-9-4-3-5-10-20/h3-13,18H,2,14-17,19H2,1H3