2-[1-(2-methylnonyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-pentoxy-pyrimidine

Systemtic Name: 2-[1-(2-methylnonyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-pentoxy-pyrimidine Openeye Name: 2-[1-(2-methylnonyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-pentoxy-pyrimidine CAS Name: 2-[1-(2-methylnonyl)-4-phenyl-1-cyclohexa-2,5-dienyl]-5-pentoxypyrimidine IUPAC Name: 2-[1-(2-methylnonyl)-4-phenylcyclohexa-2,5-dien-1-yl]-5-pentoxypyrimidine Traditional Name: 5-amoxy-2-[1-(2-methylnonyl)-4-phenyl-cyclohexa-2,5-dien-1-yl]pyrimidine Formula: C31H44N2O MolecularWeight: 460.69386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C)CC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCCCCC

Isomeric SMILES

CCCCCCCC(C)CC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCCCCC

InChI

InChI=1S/C31H44N2O/c1-4-6-8-9-11-15-26(3)23-31(20-18-28(19-21-31)27-16-12-10-13-17-27)30-32-24-29(25-33-30)34-22-14-7-5-2/h10,12-13,16-21,24-26,28H,4-9,11,14-15,22-23H2,1-3H3