5-heptyl-2-[4-[(3S)-3-methylpentoxy]phenyl]pyrimidine

Systemtic Name: 5-heptyl-2-[4-[(3S)-3-methylpentoxy]phenyl]pyrimidine Openeye Name: 5-heptyl-2-[4-[(3S)-3-methylpentoxy]phenyl]pyrimidine CAS Name: 5-heptyl-2-[4-[(3S)-3-methylpentoxy]phenyl]pyrimidine IUPAC Name: 5-heptyl-2-[4-[(3S)-3-methylpentoxy]phenyl]pyrimidine Traditional Name: 5-heptyl-2-[4-[(3S)-3-methylpentoxy]phenyl]pyrimidine Formula: C23H34N2O MolecularWeight: 354.52886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)CC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC[C@@H](C)CC

InChI

InChI=1S/C23H34N2O/c1-4-6-7-8-9-10-20-17-24-23(25-18-20)21-11-13-22(14-12-21)26-16-15-19(3)5-2/h11-14,17-19H,4-10,15-16H2,1-3H3/t19-/m0/s1