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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CC2=CC=CC=C2C1C3=NC=C(C=N3)C4=CC=C(C=C4)OC(=O)C5CCCO5

Isomeric SMILES

CCCCCCCCC1CC2=CC=CC=C2C1C3=NC=C(C=N3)C4=CC=C(C=C4)OC(=O)C5CCCO5

InChI

InChI=1S/C32H38N2O3/c1-2-3-4-5-6-7-12-25-20-24-11-8-9-13-28(24)30(25)31-33-21-26(22-34-31)23-15-17-27(18-16-23)37-32(35)29-14-10-19-36-29/h8-9,11,13,15-18,21-22,25,29-30H,2-7,10,12,14,19-20H2,1H3