[4-[5-[(3-butyloxiran-2-yl)methoxy]pyrimidin-2-yl]phenyl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [4-[5-[(3-butyloxiran-2-yl)methoxy]pyrimidin-2-yl]phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-[5-[(3-butyloxiran-2-yl)methoxy]pyrimidin-2-yl]phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-[5-[(3-butyl-2-oxiranyl)methoxy]-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-[(3-butyloxiran-2-yl)methoxy]pyrimidin-2-yl]phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-[5-[(3-butyloxiran-2-yl)methoxy]pyrimidin-2-yl]phenyl] ester Formula: C29H40N2O4 MolecularWeight: 480.6389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)OCC4C(O4)CCCC

Isomeric SMILES

CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)OCC4C(O4)CCCC

InChI

InChI=1S/C29H40N2O4/c1-3-5-7-8-21-10-12-23(13-11-21)29(32)34-24-16-14-22(15-17-24)28-30-18-25(19-31-28)33-20-27-26(35-27)9-6-4-2/h14-19,21,23,26-27H,3-13,20H2,1-2H3