5-(7-methylnonyl)-2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)pyrimidine

Systemtic Name: 5-(7-methylnonyl)-2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)pyrimidine Openeye Name: 5-(7-methylnonyl)-2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)pyrimidine CAS Name: 5-(7-methylnonyl)-2-(4-phenyl-1-undecoxy-1-cyclohexa-2,5-dienyl)pyrimidine IUPAC Name: 5-(7-methylnonyl)-2-(4-phenyl-1-undecoxycyclohexa-2,5-dien-1-yl)pyrimidine Traditional Name: 5-(7-methylnonyl)-2-(4-phenyl-1-undecoxy-cyclohexa-2,5-dien-1-yl)pyrimidine Formula: C37H56N2O MolecularWeight: 544.85334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H56N2O/c1-4-6-7-8-9-10-11-14-20-29-40-37(27-25-35(26-28-37)34-23-18-15-19-24-34)36-38-30-33(31-39-36)22-17-13-12-16-21-32(3)5-2/h15,18-19,23-28,30-32,35H,4-14,16-17,20-22,29H2,1-3H3