[4-(4-phenylpyrimidin-2-yl)phenyl] 2-methylheptanoate

Systemtic Name: [4-(4-phenylpyrimidin-2-yl)phenyl] 2-methylheptanoate Openeye Name: [4-(4-phenylpyrimidin-2-yl)phenyl] 2-methylheptanoate CAS Name: 2-methylheptanoic acid [4-(4-phenyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(4-phenylpyrimidin-2-yl)phenyl] 2-methylheptanoate Traditional Name: 2-methylenanthic acid [4-(4-phenylpyrimidin-2-yl)phenyl] ester Formula: C24H26N2O2 MolecularWeight: 374.47544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(=O)OC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCCC(C)C(=O)OC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C24H26N2O2/c1-3-4-6-9-18(2)24(27)28-21-14-12-20(13-15-21)23-25-17-16-22(26-23)19-10-7-5-8-11-19/h5,7-8,10-18H,3-4,6,9H2,1-2H3