5-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid

Systemtic Name: 5-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid Openeye Name: 2-phenyl-3-(piperazin-1-ylmethyl)-5-[2-(2-tetrahydropyran-2-yloxyethoxy)ethyl]quinoline-4-carboxylic acid CAS Name: 5-[2-[2-(2-oxanyloxy)ethoxy]ethyl]-2-phenyl-3-(1-piperazinylmethyl)-4-quinolinecarboxylic acid IUPAC Name: 5-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid Traditional Name: 2-phenyl-3-(piperazinomethyl)-5-[2-(2-tetrahydropyran-2-yloxyethoxy)ethyl]cinchoninic acid Formula: C30H37N3O5 MolecularWeight: 519.63188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCOCCC2=C3C(=CC=C2)N=C(C(=C3C(=O)O)CN4CCNCC4)C5=CC=CC=C5

Isomeric SMILES

C1CCOC(C1)OCCOCCC2=C3C(=CC=C2)N=C(C(=C3C(=O)O)CN4CCNCC4)C5=CC=CC=C5

InChI

InChI=1S/C30H37N3O5/c34-30(35)28-24(21-33-15-13-31-14-16-33)29(23-7-2-1-3-8-23)32-25-10-6-9-22(27(25)28)12-18-36-19-20-38-26-11-4-5-17-37-26/h1-3,6-10,26,31H,4-5,11-21H2,(H,34,35)