3-[[4-[2-(2-hydroxyethyloxy)ethyl]-3-oxidanylidene-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[[4-[2-(2-hydroxyethyloxy)ethyl]-3-oxidanylidene-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-[2-(2-hydroxyethoxy)ethyl]-3-oxo-piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-[2-(2-hydroxyethoxy)ethyl]-3-oxo-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-[2-(2-hydroxyethoxy)ethyl]-3-oxopiperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-[2-(2-hydroxyethoxy)ethyl]-3-keto-piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C25H27N3O5 MolecularWeight: 449.49898

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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)CCOCCO

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O5/c29-13-15-33-14-12-28-11-10-27(17-22(28)30)16-20-23(25(31)32)19-8-4-5-9-21(19)26-24(20)18-6-2-1-3-7-18/h1-9,29H,10-17H2,(H,31,32)