ethyl 7-[4-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)amino]phenoxy]heptanoate

Systemtic Name: ethyl 7-[4-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)amino]phenoxy]heptanoate Openeye Name: ethyl 7-[4-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)amino]phenoxy]heptanoate CAS Name: 7-[4-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)amino]phenoxy]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[4-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)amino]phenoxy]heptanoate Traditional Name: 7-[4-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)amino]phenoxy]enanthic acid ethyl ester Formula: C25H29N3O4 MolecularWeight: 435.51546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCOC1=CC=C(C=C1)NC2=NC(=O)C=C(N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCCCCOC1=CC=C(C=C1)NC2=NC(=O)C=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O4/c1-2-31-24(30)12-8-3-4-9-17-32-21-15-13-20(14-16-21)26-25-27-22(18-23(29)28-25)19-10-6-5-7-11-19/h5-7,10-11,13-16,18H,2-4,8-9,12,17H2,1H3,(H2,26,27,28,29)