octan-2-yl 4-[5-[4-(6-cyclopentylhexyl)phenyl]pyrimidin-2-yl]benzoate

Systemtic Name: octan-2-yl 4-[5-[4-(6-cyclopentylhexyl)phenyl]pyrimidin-2-yl]benzoate Openeye Name: 1-methylheptyl 4-[5-[4-(6-cyclopentylhexyl)phenyl]pyrimidin-2-yl]benzoate CAS Name: 4-[5-[4-(6-cyclopentylhexyl)phenyl]-2-pyrimidinyl]benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-[5-[4-(6-cyclopentylhexyl)phenyl]pyrimidin-2-yl]benzoate Traditional Name: 4-[5-[4-(6-cyclopentylhexyl)phenyl]pyrimidin-2-yl]benzoic acid 1-methylheptyl ester Formula: C36H48N2O2 MolecularWeight: 540.77852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)CCCCCCC4CCCC4

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)CCCCCCC4CCCC4

InChI

InChI=1S/C36H48N2O2/c1-3-4-5-8-13-28(2)40-36(39)33-24-22-32(23-25-33)35-37-26-34(27-38-35)31-20-18-30(19-21-31)15-10-7-6-9-14-29-16-11-12-17-29/h18-29H,3-17H2,1-2H3