[(E)-7-[4-(5-decoxypyrimidin-2-yl)phenyl]hept-6-en-2-yl] propanoate

Systemtic Name: [(E)-7-[4-(5-decoxypyrimidin-2-yl)phenyl]hept-6-en-2-yl] propanoate Openeye Name: [(E)-6-[4-(5-decoxypyrimidin-2-yl)phenyl]-1-methyl-hex-5-enyl] propanoate CAS Name: propanoic acid [(E)-7-[4-(5-decoxy-2-pyrimidinyl)phenyl]hept-6-en-2-yl] ester IUPAC Name: [(E)-7-[4-(5-decoxypyrimidin-2-yl)phenyl]hept-6-en-2-yl] propanoate Traditional Name: propionic acid [(E)-6-[4-(5-decoxypyrimidin-2-yl)phenyl]-1-methyl-hex-5-enyl] ester Formula: C30H44N2O3 MolecularWeight: 480.68196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C=CCCCC(C)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)/C=C/CCCC(C)OC(=O)CC

InChI

InChI=1S/C30H44N2O3/c1-4-6-7-8-9-10-11-15-22-34-28-23-31-30(32-24-28)27-20-18-26(19-21-27)17-14-12-13-16-25(3)35-29(33)5-2/h14,17-21,23-25H,4-13,15-16,22H2,1-3H3/b17-14+