2-[3-(4-quinolin-4-ylcarbonylpiperazin-1-yl)phenoxy]ethanoic acid

Systemtic Name: 2-[3-(4-quinolin-4-ylcarbonylpiperazin-1-yl)phenoxy]ethanoic acid Openeye Name: 2-[3-[4-(quinoline-4-carbonyl)piperazin-1-yl]phenoxy]acetic acid CAS Name: 2-[3-[4-[oxo(4-quinolinyl)methyl]-1-piperazinyl]phenoxy]acetic acid IUPAC Name: 2-[3-[4-(quinoline-4-carbonyl)piperazin-1-yl]phenoxy]acetic acid Traditional Name: 2-[3-(4-cinchoninoylpiperazino)phenoxy]acetic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)OCC(=O)O)C(=O)C3=CC=NC4=CC=CC=C34

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)OCC(=O)O)C(=O)C3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C22H21N3O4/c26-21(27)15-29-17-5-3-4-16(14-17)24-10-12-25(13-11-24)22(28)19-8-9-23-20-7-2-1-6-18(19)20/h1-9,14H,10-13,15H2,(H,26,27)