3-[[4-[2,3-bis(oxidanyl)propyl]-3-oxidanylidene-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-[2,3-bis(oxidanyl)propyl]-3-oxidanylidene-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-(2,3-dihydroxypropyl)-3-oxo-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-(2,3-dihydroxypropyl)-3-oxo-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(2,3-dihydroxypropyl)-3-oxopiperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[(4-glyceryl-3-keto-piperazino)methyl]-2-phenyl-cinchoninic acid Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)CC(CO)O

Isomeric SMILES

C1CN(C(=O)CN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)CC(CO)O

InChI

InChI=1S/C24H25N3O5/c28-15-17(29)12-27-11-10-26(14-21(27)30)13-19-22(24(31)32)18-8-4-5-9-20(18)25-23(19)16-6-2-1-3-7-16/h1-9,17,28-29H,10-15H2,(H,31,32)