5-methylheptyl 2-(4-phenyl-1-propyl-cyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylate

Systemtic Name: 5-methylheptyl 2-(4-phenyl-1-propyl-cyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylate Openeye Name: 5-methylheptyl 2-(4-phenyl-1-propyl-cyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylate CAS Name: 2-(4-phenyl-1-propyl-1-cyclohexa-2,5-dienyl)-5-pyrimidinecarboxylic acid 5-methylheptyl ester IUPAC Name: 5-methylheptyl 2-(4-phenyl-1-propylcyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylate Traditional Name: 2-(4-phenyl-1-propyl-cyclohexa-2,5-dien-1-yl)pyrimidine-5-carboxylic acid 5-methylheptyl ester Formula: C28H36N2O2 MolecularWeight: 432.59764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)OCCCCC(C)CC

Isomeric SMILES

CCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)OCCCCC(C)CC

InChI

InChI=1S/C28H36N2O2/c1-4-16-28(17-14-24(15-18-28)23-12-7-6-8-13-23)27-29-20-25(21-30-27)26(31)32-19-10-9-11-22(3)5-2/h6-8,12-15,17-18,20-22,24H,4-5,9-11,16,19H2,1-3H3