[2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl] 2-butoxypropanoate

Systemtic Name: [2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl] 2-butoxypropanoate Openeye Name: [2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl] 2-butoxypropanoate CAS Name: 2-butoxypropanoic acid [2-[4-(4-heptylphenyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl] 2-butoxypropanoate Traditional Name: 2-butoxypropionic acid [2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl] ester Formula: C30H38N2O3 MolecularWeight: 474.63432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)C(C)OCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)C(C)OCCCC

InChI

InChI=1S/C30H38N2O3/c1-4-6-8-9-10-11-24-12-14-25(15-13-24)26-16-18-27(19-17-26)29-31-21-28(22-32-29)35-30(33)23(3)34-20-7-5-2/h12-19,21-23H,4-11,20H2,1-3H3