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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 2-methyl-2-octyl-3-oxidanylidene-1H-indene-5-carboxylate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 2-methyl-2-octyl-3-oxo-indane-5-carboxylate CAS Name: 2-methyl-2-octyl-3-oxo-1H-indene-5-carboxylic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 2-methyl-2-octyl-3-oxo-1H-indene-5-carboxylate Traditional Name: 3-keto-2-methyl-2-octyl-indane-5-carboxylic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C39H52N2O3 MolecularWeight: 596.84178

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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=O)(C)CCCCCCCC)C=C3

Isomeric SMILES

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

InChI

InChI=1S/C39H52N2O3/c1-4-6-8-10-12-13-14-16-18-30-28-40-37(41-29-30)31-21-23-34(24-22-31)44-38(43)32-19-20-33-27-39(3,36(42)35(33)26-32)25-17-15-11-9-7-5-2/h19-24,26,28-29H,4-18,25,27H2,1-3H3