[4-[5-(5-methylheptyl)pyrimidin-2-yl]phenyl] 4-octan-2-yloxybenzoate

Systemtic Name: [4-[5-(5-methylheptyl)pyrimidin-2-yl]phenyl] 4-octan-2-yloxybenzoate Openeye Name: [4-[5-(5-methylheptyl)pyrimidin-2-yl]phenyl] 4-(1-methylheptoxy)benzoate CAS Name: 4-octan-2-yloxybenzoic acid [4-[5-(5-methylheptyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(5-methylheptyl)pyrimidin-2-yl]phenyl] 4-octan-2-yloxybenzoate Traditional Name: 4-(1-methylheptoxy)benzoic acid [4-[5-(5-methylheptyl)pyrimidin-2-yl]phenyl] ester Formula: C33H44N2O3 MolecularWeight: 516.71406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC(C)CC

Isomeric SMILES

CCCCCCC(C)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC(C)CC

InChI

InChI=1S/C33H44N2O3/c1-5-7-8-9-13-26(4)37-30-21-17-29(18-22-30)33(36)38-31-19-15-28(16-20-31)32-34-23-27(24-35-32)14-11-10-12-25(3)6-2/h15-26H,5-14H2,1-4H3