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

Systemtic Name: propyl 4-[5-[4-(6-cyclopentylhexyl)phenyl]pyrimidin-2-yl]-2-pentoxy-benzoate Openeye Name: propyl 4-[5-[4-(6-cyclopentylhexyl)phenyl]pyrimidin-2-yl]-2-pentoxy-benzoate CAS Name: 4-[5-[4-(6-cyclopentylhexyl)phenyl]-2-pyrimidinyl]-2-pentoxybenzoic acid propyl ester IUPAC Name: propyl 4-[5-[4-(6-cyclopentylhexyl)phenyl]pyrimidin-2-yl]-2-pentoxybenzoate Traditional Name: 2-amoxy-4-[5-[4-(6-cyclopentylhexyl)phenyl]pyrimidin-2-yl]benzoic acid propyl ester Formula: C36H48N2O3 MolecularWeight: 556.77792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC(=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)CCCCCCC4CCCC4)C(=O)OCCC

Isomeric SMILES

CCCCCOC1=C(C=CC(=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)CCCCCCC4CCCC4)C(=O)OCCC

InChI

InChI=1S/C36H48N2O3/c1-3-5-12-24-40-34-25-31(21-22-33(34)36(39)41-23-4-2)35-37-26-32(27-38-35)30-19-17-29(18-20-30)14-9-7-6-8-13-28-15-10-11-16-28/h17-22,25-28H,3-16,23-24H2,1-2H3