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

Systemtic Name: 3-[[4-[2,3-bis(oxidanyl)propyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-(2,3-dihydroxypropyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-(2,3-dihydroxypropyl)-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-(2,3-dihydroxypropyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[(4-glycerylpiperazino)methyl]-2-phenyl-cinchoninic acid Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)CC(CO)O

Isomeric SMILES

C1CN(CCN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)CC(CO)O

InChI

InChI=1S/C24H27N3O4/c28-16-18(29)14-26-10-12-27(13-11-26)15-20-22(24(30)31)19-8-4-5-9-21(19)25-23(20)17-6-2-1-3-7-17/h1-9,18,28-29H,10-16H2,(H,30,31)