5-(5-methylheptoxy)-2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)pyrimidine

Systemtic Name: 5-(5-methylheptoxy)-2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)pyrimidine Openeye Name: 5-(5-methylheptoxy)-2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)pyrimidine CAS Name: 5-(5-methylheptoxy)-2-(4-phenyl-1-undecoxy-1-cyclohexa-2,5-dienyl)pyrimidine IUPAC Name: 5-(5-methylheptoxy)-2-(4-phenyl-1-undecoxycyclohexa-2,5-dien-1-yl)pyrimidine Traditional Name: 5-(5-methylheptoxy)-2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)pyrimidine Formula: C35H52N2O2 MolecularWeight: 532.79958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCCCCC(C)CC

InChI

InChI=1S/C35H52N2O2/c1-4-6-7-8-9-10-11-12-17-27-39-35(24-22-32(23-25-35)31-20-14-13-15-21-31)34-36-28-33(29-37-34)38-26-18-16-19-30(3)5-2/h13-15,20-25,28-30,32H,4-12,16-19,26-27H2,1-3H3