2-azanyl-3-[3-[3-(6-thiomorpholin-4-ylpyridin-3-yl)phenoxy]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-[3-(6-thiomorpholin-4-ylpyridin-3-yl)phenoxy]phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[3-(6-thiomorpholino-3-pyridyl)phenoxy]phenyl]propanoic acid CAS Name: 2-amino-3-[3-[3-(6-thiomorpholin-4-yl-3-pyridinyl)phenoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[3-(6-thiomorpholin-4-ylpyridin-3-yl)phenoxy]phenyl]propanoic acid Traditional Name: 2-amino-3-[3-[3-(6-thiomorpholino-3-pyridyl)phenoxy]phenyl]propionic acid Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=NC=C(C=C2)C3=CC(=CC=C3)OC4=CC=CC(=C4)CC(C(=O)O)N

Isomeric SMILES

C1CSCCN1C2=NC=C(C=C2)C3=CC(=CC=C3)OC4=CC=CC(=C4)CC(C(=O)O)N

InChI

InChI=1S/C24H25N3O3S/c25-22(24(28)29)14-17-3-1-5-20(13-17)30-21-6-2-4-18(15-21)19-7-8-23(26-16-19)27-9-11-31-12-10-27/h1-8,13,15-16,22H,9-12,14,25H2,(H,28,29)