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

Systemtic Name: ethyl 1-(2,2-dimethylpropyl)-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-(2,2-dimethylpropyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-quinoline-3-carboxylate CAS Name: 1-(2,2-dimethylpropyl)-4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,2-dimethylpropyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate Traditional Name: 4-[4-(2-furoyl)piperazino]-2-keto-1-neopentyl-quinoline-3-carboxylic acid ethyl ester Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC(C)(C)C)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC(C)(C)C)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C26H31N3O5/c1-5-33-25(32)21-22(27-12-14-28(15-13-27)23(30)20-11-8-16-34-20)18-9-6-7-10-19(18)29(24(21)31)17-26(2,3)4/h6-11,16H,5,12-15,17H2,1-4H3