[4-(5-decylpyrimidin-2-yl)phenyl] 2-octyl-2,3-dihydro-1H-indene-5-carboxylate

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 2-octyl-2,3-dihydro-1H-indene-5-carboxylate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 2-octylindane-5-carboxylate CAS Name: 2-octyl-2,3-dihydro-1H-indene-5-carboxylic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 2-octyl-2,3-dihydro-1H-indene-5-carboxylate Traditional Name: 2-octylindane-5-carboxylic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C38H52N2O2 MolecularWeight: 568.83168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC4=C(CC(C4)CCCCCCCC)C=C3

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC4=C(CC(C4)CCCCCCCC)C=C3

InChI

InChI=1S/C38H52N2O2/c1-3-5-7-9-11-12-14-16-18-31-28-39-37(40-29-31)32-21-23-36(24-22-32)42-38(41)34-20-19-33-25-30(26-35(33)27-34)17-15-13-10-8-6-4-2/h19-24,27-30H,3-18,25-26H2,1-2H3