2-[4-oxidanylidene-1-(phenylmethyl)-3-(4-pyridin-4-ylpiperazin-1-yl)quinolin-7-yl]oxyethanoic acid

Systemtic Name: 2-[4-oxidanylidene-1-(phenylmethyl)-3-(4-pyridin-4-ylpiperazin-1-yl)quinolin-7-yl]oxyethanoic acid Openeye Name: 2-[[1-benzyl-4-oxo-3-[4-(4-pyridyl)piperazin-1-yl]-7-quinolyl]oxy]acetic acid CAS Name: 2-[[4-oxo-1-(phenylmethyl)-3-(4-pyridin-4-yl-1-piperazinyl)-7-quinolinyl]oxy]acetic acid IUPAC Name: 2-[1-benzyl-4-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)quinolin-7-yl]oxyacetic acid Traditional Name: 2-[[1-benzyl-4-keto-3-[4-(4-pyridyl)piperazino]-7-quinolyl]oxy]acetic acid Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C3=CN(C4=C(C3=O)C=CC(=C4)OCC(=O)O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C3=CN(C4=C(C3=O)C=CC(=C4)OCC(=O)O)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O4/c32-26(33)19-35-22-6-7-23-24(16-22)31(17-20-4-2-1-3-5-20)18-25(27(23)34)30-14-12-29(13-15-30)21-8-10-28-11-9-21/h1-11,16,18H,12-15,17,19H2,(H,32,33)