[2-[4-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-methylheptanoate

Systemtic Name: [2-[4-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-methylheptanoate Openeye Name: [2-[4-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-methylheptanoate CAS Name: 2-methylheptanoic acid [2-[4-(4-decylphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [2-[4-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-methylheptanoate Traditional Name: 2-methylenanthic acid [2-[4-(4-decylphenyl)pyrimidin-2-yl]phenyl] ester Formula: C34H46N2O2 MolecularWeight: 514.74124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=NC(=NC=C2)C3=CC=CC=C3OC(=O)C(C)CCCCC

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=NC(=NC=C2)C3=CC=CC=C3OC(=O)C(C)CCCCC

InChI

InChI=1S/C34H46N2O2/c1-4-6-8-9-10-11-12-14-18-28-21-23-29(24-22-28)31-25-26-35-33(36-31)30-19-15-16-20-32(30)38-34(37)27(3)17-13-7-5-2/h15-16,19-27H,4-14,17-18H2,1-3H3