ethyl 7-[2,3-dimethoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]heptanoate

Systemtic Name: ethyl 7-[2,3-dimethoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]heptanoate Openeye Name: ethyl 7-[2,3-dimethoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]heptanoate CAS Name: 7-[2,3-dimethoxy-6-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenoxy]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[2,3-dimethoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]heptanoate Traditional Name: 7-[2,3-dimethoxy-6-[[4-(2-pyrimidyl)piperazino]methyl]phenoxy]enanthic acid ethyl ester Formula: C26H38N4O5 MolecularWeight: 486.60372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCOC1=C(C=CC(=C1OC)OC)CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)CCCCCCOC1=C(C=CC(=C1OC)OC)CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C26H38N4O5/c1-4-34-23(31)10-7-5-6-8-19-35-24-21(11-12-22(32-2)25(24)33-3)20-29-15-17-30(18-16-29)26-27-13-9-14-28-26/h9,11-14H,4-8,10,15-20H2,1-3H3