[4-[2-(2-octyl-2,3-dihydro-1H-inden-5-yl)pyrimidin-4-yl]phenyl] oxolane-2-carboxylate

Systemtic Name: [4-[2-(2-octyl-2,3-dihydro-1H-inden-5-yl)pyrimidin-4-yl]phenyl] oxolane-2-carboxylate Openeye Name: [4-[2-(2-octylindan-5-yl)pyrimidin-4-yl]phenyl] tetrahydrofuran-2-carboxylate CAS Name: 2-oxolanecarboxylic acid [4-[2-(2-octyl-2,3-dihydro-1H-inden-5-yl)-4-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(2-octyl-2,3-dihydro-1H-inden-5-yl)pyrimidin-4-yl]phenyl] oxolane-2-carboxylate Traditional Name: tetrahydrofuran-2-carboxylic acid [4-[2-(2-octylindan-5-yl)pyrimidin-4-yl]phenyl] ester Formula: C32H38N2O3 MolecularWeight: 498.65572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CC2=C(C1)C=C(C=C2)C3=NC=CC(=N3)C4=CC=C(C=C4)OC(=O)C5CCCO5

Isomeric SMILES

CCCCCCCCC1CC2=C(C1)C=C(C=C2)C3=NC=CC(=N3)C4=CC=C(C=C4)OC(=O)C5CCCO5

InChI

InChI=1S/C32H38N2O3/c1-2-3-4-5-6-7-9-23-20-25-11-12-26(22-27(25)21-23)31-33-18-17-29(34-31)24-13-15-28(16-14-24)37-32(35)30-10-8-19-36-30/h11-18,22-23,30H,2-10,19-21H2,1H3