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

Systemtic Name: [4-[2-(2-octyl-2,3-dihydro-1H-inden-5-yl)pyrimidin-5-yl]phenyl] heptanoate Openeye Name: [4-[2-(2-octylindan-5-yl)pyrimidin-5-yl]phenyl] heptanoate CAS Name: heptanoic acid [4-[2-(2-octyl-2,3-dihydro-1H-inden-5-yl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(2-octyl-2,3-dihydro-1H-inden-5-yl)pyrimidin-5-yl]phenyl] heptanoate Traditional Name: enanthic acid [4-[2-(2-octylindan-5-yl)pyrimidin-5-yl]phenyl] ester Formula: C34H44N2O2 MolecularWeight: 512.72536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H44N2O2/c1-3-5-7-9-10-11-13-26-21-28-15-16-29(23-30(28)22-26)34-35-24-31(25-36-34)27-17-19-32(20-18-27)38-33(37)14-12-8-6-4-2/h15-20,23-26H,3-14,21-22H2,1-2H3