2-[2-[4-(2-oxidanyl-3-quinolin-5-yloxy-propyl)piperazin-1-yl]ethanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 2-[2-[4-(2-oxidanyl-3-quinolin-5-yloxy-propyl)piperazin-1-yl]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 2-[[2-[4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazin-1-yl]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 2-[[2-[4-[2-hydroxy-3-(5-quinolinyloxy)propyl]-1-piperazinyl]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 2-[[2-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 2-[[2-[4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazino]acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C26H31N5O5 MolecularWeight: 493.55484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)CC(=O)NC(CC4=CN=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)CC(=O)NC(CC4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C26H31N5O5/c32-20(18-36-24-7-1-6-22-21(24)5-3-9-28-22)16-30-10-12-31(13-11-30)17-25(33)29-23(26(34)35)14-19-4-2-8-27-15-19/h1-9,15,20,23,32H,10-14,16-18H2,(H,29,33)(H,34,35)