[(2S)-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl] 2-phenylquinoline-4-carboxylate

Systemtic Name: [(2S)-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl] 2-phenylquinoline-4-carboxylate Openeye Name: [(1S)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [(2S)-1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [(1S)-2-[4-(2-furoyl)piperazino]-2-keto-1-methyl-ethyl] ester Formula: C28H25N3O5 MolecularWeight: 483.5152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O5/c1-19(26(32)30-13-15-31(16-14-30)27(33)25-12-7-17-35-25)36-28(34)22-18-24(20-8-3-2-4-9-20)29-23-11-6-5-10-21(22)23/h2-12,17-19H,13-16H2,1H3/t19-/m0/s1