1-butoxy-2-methyl-benzene; 5-(4-pentylcyclohexyl)-2-phenyl-pyrimidine

Systemtic Name: 1-butoxy-2-methyl-benzene; 5-(4-pentylcyclohexyl)-2-phenyl-pyrimidine Openeye Name: 1-butoxy-2-methyl-benzene; 5-(4-pentylcyclohexyl)-2-phenyl-pyrimidine CAS Name: 1-butoxy-2-methylbenzene; 5-(4-pentylcyclohexyl)-2-phenylpyrimidine IUPAC Name: 1-butoxy-2-methylbenzene; 5-(4-pentylcyclohexyl)-2-phenylpyrimidine Traditional Name: 5-(4-amylcyclohexyl)-2-phenyl-pyrimidine; 1-butoxy-2-methyl-benzene Formula: C32H44N2O MolecularWeight: 472.70456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=CC=C3.CCCCOC1=CC=CC=C1C

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=CC=C3.CCCCOC1=CC=CC=C1C

InChI

InChI=1S/C21H28N2.C11H16O/c1-2-3-5-8-17-11-13-18(14-12-17)20-15-22-21(23-16-20)19-9-6-4-7-10-19;1-3-4-9-12-11-8-6-5-7-10(11)2/h4,6-7,9-10,15-18H,2-3,5,8,11-14H2,1H3;5-8H,3-4,9H2,1-2H3