5-octoxy-2-[4-phenyl-1-(2-propoxyethyl)cyclohexa-2,5-dien-1-yl]pyrimidine

Systemtic Name: 5-octoxy-2-[4-phenyl-1-(2-propoxyethyl)cyclohexa-2,5-dien-1-yl]pyrimidine Openeye Name: 5-octoxy-2-[4-phenyl-1-(2-propoxyethyl)cyclohexa-2,5-dien-1-yl]pyrimidine CAS Name: 5-octoxy-2-[4-phenyl-1-(2-propoxyethyl)-1-cyclohexa-2,5-dienyl]pyrimidine IUPAC Name: 5-octoxy-2-[4-phenyl-1-(2-propoxyethyl)cyclohexa-2,5-dien-1-yl]pyrimidine Traditional Name: 5-octoxy-2-[4-phenyl-1-(2-propoxyethyl)cyclohexa-2,5-dien-1-yl]pyrimidine Formula: C29H40N2O2 MolecularWeight: 448.6401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CCOCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)CCOCCC

InChI

InChI=1S/C29H40N2O2/c1-3-5-6-7-8-12-21-33-27-23-30-28(31-24-27)29(19-22-32-20-4-2)17-15-26(16-18-29)25-13-10-9-11-14-25/h9-11,13-18,23-24,26H,3-8,12,19-22H2,1-2H3