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

Systemtic Name: [4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl] 2-methyl-2-octyl-3-oxidanylidene-1H-indene-5-carboxylate Openeye Name: [4-[5-(4-octoxyphenyl)pyrimidin-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-(4-octoxyphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-octoxyphenyl)pyrimidin-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-(4-octoxyphenyl)pyrimidin-2-yl]phenyl] ester Formula: C43H52N2O4 MolecularWeight: 660.88398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CC2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=NC=C(C=N4)C5=CC=C(C=C5)OCCCCCCCC)C

Isomeric SMILES

CCCCCCCCC1(CC2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=NC=C(C=N4)C5=CC=C(C=C5)OCCCCCCCC)C

InChI

InChI=1S/C43H52N2O4/c1-4-6-8-10-12-14-26-43(3)29-35-17-16-34(28-39(35)40(43)46)42(47)49-38-24-20-33(21-25-38)41-44-30-36(31-45-41)32-18-22-37(23-19-32)48-27-15-13-11-9-7-5-2/h16-25,28,30-31H,4-15,26-27,29H2,1-3H3