3-methyl-2-morpholin-4-yl-2-(6-phenylazanylpyridin-3-yl)pentanedioic acid

Systemtic Name: 3-methyl-2-morpholin-4-yl-2-(6-phenylazanylpyridin-3-yl)pentanedioic acid Openeye Name: 2-(6-anilino-3-pyridyl)-3-methyl-2-morpholino-pentanedioic acid CAS Name: 2-(6-anilino-3-pyridinyl)-3-methyl-2-(4-morpholinyl)pentanedioic acid IUPAC Name: 2-(6-anilinopyridin-3-yl)-3-methyl-2-morpholin-4-ylpentanedioic acid Traditional Name: 2-(6-anilino-3-pyridyl)-3-methyl-2-morpholino-glutaric acid Formula: C21H25N3O5 MolecularWeight: 399.4403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(C1=CN=C(C=C1)NC2=CC=CC=C2)(C(=O)O)N3CCOCC3

Isomeric SMILES

CC(CC(=O)O)C(C1=CN=C(C=C1)NC2=CC=CC=C2)(C(=O)O)N3CCOCC3

InChI

InChI=1S/C21H25N3O5/c1-15(13-19(25)26)21(20(27)28,24-9-11-29-12-10-24)16-7-8-18(22-14-16)23-17-5-3-2-4-6-17/h2-8,14-15H,9-13H2,1H3,(H,22,23)(H,25,26)(H,27,28)