[4-[5-(3-methylpentyl)pyrimidin-2-yl]phenyl] 4-octan-2-yloxybenzoate

Systemtic Name: [4-[5-(3-methylpentyl)pyrimidin-2-yl]phenyl] 4-octan-2-yloxybenzoate Openeye Name: [4-[5-(3-methylpentyl)pyrimidin-2-yl]phenyl] 4-(1-methylheptoxy)benzoate CAS Name: 4-octan-2-yloxybenzoic acid [4-[5-(3-methylpentyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(3-methylpentyl)pyrimidin-2-yl]phenyl] 4-octan-2-yloxybenzoate Traditional Name: 4-(1-methylheptoxy)benzoic acid [4-[5-(3-methylpentyl)pyrimidin-2-yl]phenyl] ester Formula: C31H40N2O3 MolecularWeight: 488.6609

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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)CCC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C31H40N2O3/c1-5-7-8-9-10-24(4)35-28-19-15-27(16-20-28)31(34)36-29-17-13-26(14-18-29)30-32-21-25(22-33-30)12-11-23(3)6-2/h13-24H,5-12H2,1-4H3