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

Systemtic Name: propyl 2-butoxy-4-[5-[4-(6-cyclopentylhexyl)phenyl]pyrimidin-2-yl]benzoate Openeye Name: propyl 2-butoxy-4-[5-[4-(6-cyclopentylhexyl)phenyl]pyrimidin-2-yl]benzoate CAS Name: 2-butoxy-4-[5-[4-(6-cyclopentylhexyl)phenyl]-2-pyrimidinyl]benzoic acid propyl ester IUPAC Name: propyl 2-butoxy-4-[5-[4-(6-cyclopentylhexyl)phenyl]pyrimidin-2-yl]benzoate Traditional Name: 2-butoxy-4-[5-[4-(6-cyclopentylhexyl)phenyl]pyrimidin-2-yl]benzoic acid propyl ester Formula: C35H46N2O3 MolecularWeight: 542.75134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)CCCCCCC4CCCC4)C(=O)OCCC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)CCCCCCC4CCCC4)C(=O)OCCC

InChI

InChI=1S/C35H46N2O3/c1-3-5-23-39-33-24-30(20-21-32(33)35(38)40-22-4-2)34-36-25-31(26-37-34)29-18-16-28(17-19-29)13-9-7-6-8-12-27-14-10-11-15-27/h16-21,24-27H,3-15,22-23H2,1-2H3