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

Systemtic Name: [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] 2-butoxypropanoate Openeye Name: [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] 2-butoxypropanoate CAS Name: 2-butoxypropanoic acid [2-[4-(4-octylphenyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] 2-butoxypropanoate Traditional Name: 2-butoxypropionic acid [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] ester Formula: C31H40N2O3 MolecularWeight: 488.6609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)C(C)OCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)C(C)OCCCC

InChI

InChI=1S/C31H40N2O3/c1-4-6-8-9-10-11-12-25-13-15-26(16-14-25)27-17-19-28(20-18-27)30-32-22-29(23-33-30)36-31(34)24(3)35-21-7-5-2/h13-20,22-24H,4-12,21H2,1-3H3