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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC(CC2=CN=CC=C2)C(=O)O)C(CCOC3=CC=CC4=C3C=CC=N4)O

Isomeric SMILES

C1CN(CCN1CC(=O)NC(CC2=CN=CC=C2)C(=O)O)C(CCOC3=CC=CC4=C3C=CC=N4)O

InChI

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