octyl 4-(5-heptylpyrimidin-2-yl)-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: octyl 4-(5-heptylpyrimidin-2-yl)-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: octyl 4-(5-heptylpyrimidin-2-yl)-1-methyl-6-oxo-cyclohexa-2,4-diene-1-carboxylate CAS Name: 4-(5-heptyl-2-pyrimidinyl)-1-methyl-6-oxo-1-cyclohexa-2,4-dienecarboxylic acid octyl ester IUPAC Name: octyl 4-(5-heptylpyrimidin-2-yl)-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate Traditional Name: 4-(5-heptylpyrimidin-2-yl)-6-keto-1-methyl-cyclohexa-2,4-diene-1-carboxylic acid octyl ester Formula: C27H40N2O3 MolecularWeight: 440.6181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1(C=CC(=CC1=O)C2=NC=C(C=N2)CCCCCCC)C

Isomeric SMILES

CCCCCCCCOC(=O)C1(C=CC(=CC1=O)C2=NC=C(C=N2)CCCCCCC)C

InChI

InChI=1S/C27H40N2O3/c1-4-6-8-10-12-14-18-32-26(31)27(3)17-16-23(19-24(27)30)25-28-20-22(21-29-25)15-13-11-9-7-5-2/h16-17,19-21H,4-15,18H2,1-3H3