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

Systemtic Name: 3-[[4-[2-(2-hydroxyethyloxy)ethyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[[4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[[4-[2-(2-hydroxyethoxy)ethyl]piperazino]methyl]-2-phenyl-cinchoninic acid Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOCCO)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1CCOCCO)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H29N3O4/c29-15-17-32-16-14-27-10-12-28(13-11-27)18-21-23(25(30)31)20-8-4-5-9-22(20)26-24(21)19-6-2-1-3-7-19/h1-9,29H,10-18H2,(H,30,31)