(5-decoxy-2-phenyl-pyrimidin-4-yl) 4-methylcyclohex-3-ene-1-carboxylate

Systemtic Name: (5-decoxy-2-phenyl-pyrimidin-4-yl) 4-methylcyclohex-3-ene-1-carboxylate Openeye Name: (5-decoxy-2-phenyl-pyrimidin-4-yl) 4-methylcyclohex-3-ene-1-carboxylate CAS Name: 4-methyl-1-cyclohex-3-enecarboxylic acid (5-decoxy-2-phenyl-4-pyrimidinyl) ester IUPAC Name: (5-decoxy-2-phenylpyrimidin-4-yl) 4-methylcyclohex-3-ene-1-carboxylate Traditional Name: 4-methylcyclohex-3-ene-1-carboxylic acid (5-decoxy-2-phenyl-pyrimidin-4-yl) ester Formula: C28H38N2O3 MolecularWeight: 450.61292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(N=C1OC(=O)C2CCC(=CC2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(N=C1OC(=O)C2CCC(=CC2)C)C3=CC=CC=C3

InChI

InChI=1S/C28H38N2O3/c1-3-4-5-6-7-8-9-13-20-32-25-21-29-26(23-14-11-10-12-15-23)30-27(25)33-28(31)24-18-16-22(2)17-19-24/h10-12,14-16,21,24H,3-9,13,17-20H2,1-2H3