[4-(5-undecoxypyrimidin-2-yl)phenyl] 3-methylheptanoate

Systemtic Name: [4-(5-undecoxypyrimidin-2-yl)phenyl] 3-methylheptanoate Openeye Name: [4-(5-undecoxypyrimidin-2-yl)phenyl] 3-methylheptanoate CAS Name: 3-methylheptanoic acid [4-(5-undecoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-undecoxypyrimidin-2-yl)phenyl] 3-methylheptanoate Traditional Name: 3-methylenanthic acid [4-(5-undecoxypyrimidin-2-yl)phenyl] ester Formula: C29H44N2O3 MolecularWeight: 468.67126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(C)CCCC

Isomeric SMILES

CCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(C)CCCC

InChI

InChI=1S/C29H44N2O3/c1-4-6-8-9-10-11-12-13-14-20-33-27-22-30-29(31-23-27)25-16-18-26(19-17-25)34-28(32)21-24(3)15-7-5-2/h16-19,22-24H,4-15,20-21H2,1-3H3