2-[methyl-[2-[4-(2-oxidanyl-3-quinolin-5-yloxy-propyl)piperazin-1-yl]ethanoyl]amino]ethanoic acid

Systemtic Name: 2-[methyl-[2-[4-(2-oxidanyl-3-quinolin-5-yloxy-propyl)piperazin-1-yl]ethanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazin-1-yl]acetyl]-methyl-amino]acetic acid CAS Name: 2-[[2-[4-[2-hydroxy-3-(5-quinolinyloxy)propyl]-1-piperazinyl]-1-oxoethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]acetyl]-methylamino]acetic acid Traditional Name: 2-[[2-[4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazino]acetyl]-methyl-amino]acetic acid Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)CN1CCN(CC1)CC(COC2=CC=CC3=C2C=CC=N3)O

Isomeric SMILES

CN(CC(=O)O)C(=O)CN1CCN(CC1)CC(COC2=CC=CC3=C2C=CC=N3)O

InChI

InChI=1S/C21H28N4O5/c1-23(14-21(28)29)20(27)13-25-10-8-24(9-11-25)12-16(26)15-30-19-6-2-5-18-17(19)4-3-7-22-18/h2-7,16,26H,8-15H2,1H3,(H,28,29)