2-[2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl]ethyl 4-methylhexanoate

Systemtic Name: 2-[2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl]ethyl 4-methylhexanoate Openeye Name: 2-[2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl]ethyl 4-methylhexanoate CAS Name: 4-methylhexanoic acid 2-[2-[4-(4-propylphenyl)phenyl]-5-pyrimidinyl]ethyl ester IUPAC Name: 2-[2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl]ethyl 4-methylhexanoate Traditional Name: 4-methylhexanoic acid 2-[2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl]ethyl ester Formula: C28H34N2O2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)CCOC(=O)CCC(C)CC

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)CCOC(=O)CCC(C)CC

InChI

InChI=1S/C28H34N2O2/c1-4-6-22-8-10-24(11-9-22)25-12-14-26(15-13-25)28-29-19-23(20-30-28)17-18-32-27(31)16-7-21(3)5-2/h8-15,19-21H,4-7,16-18H2,1-3H3