octan-2-yl 4-[4-(5-pentylpyrimidin-2-yl)phenyl]benzoate

Systemtic Name: octan-2-yl 4-[4-(5-pentylpyrimidin-2-yl)phenyl]benzoate Openeye Name: 1-methylheptyl 4-[4-(5-pentylpyrimidin-2-yl)phenyl]benzoate CAS Name: 4-[4-(5-pentyl-2-pyrimidinyl)phenyl]benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-[4-(5-pentylpyrimidin-2-yl)phenyl]benzoate Traditional Name: 4-[4-(5-amylpyrimidin-2-yl)phenyl]benzoic acid 1-methylheptyl ester Formula: C30H38N2O2 MolecularWeight: 458.63492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2O2/c1-4-6-8-10-11-23(3)34-30(33)28-19-15-26(16-20-28)25-13-17-27(18-14-25)29-31-21-24(22-32-29)12-9-7-5-2/h13-23H,4-12H2,1-3H3