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

Systemtic Name: octan-2-yl 4-[2-[4-(5-heptylpyrimidin-2-yl)phenyl]ethyl]benzoate Openeye Name: 1-methylheptyl 4-[2-[4-(5-heptylpyrimidin-2-yl)phenyl]ethyl]benzoate CAS Name: 4-[2-[4-(5-heptyl-2-pyrimidinyl)phenyl]ethyl]benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-[2-[4-(5-heptylpyrimidin-2-yl)phenyl]ethyl]benzoate Traditional Name: 4-[2-[4-(5-heptylpyrimidin-2-yl)phenyl]ethyl]benzoic acid 1-methylheptyl ester Formula: C34H46N2O2 MolecularWeight: 514.74124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CCC3=CC=C(C=C3)C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CCC3=CC=C(C=C3)C(=O)OC(C)CCCCCC

InChI

InChI=1S/C34H46N2O2/c1-4-6-8-10-12-14-30-25-35-33(36-26-30)31-21-17-28(18-22-31)15-16-29-19-23-32(24-20-29)34(37)38-27(3)13-11-9-7-5-2/h17-27H,4-16H2,1-3H3