[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl] 2-pentoxypropanoate

Systemtic Name: [2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl] 2-pentoxypropanoate Openeye Name: [2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl] 2-pentoxypropanoate CAS Name: 2-pentoxypropanoic acid [2-[4-(4-hexylphenyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl] 2-pentoxypropanoate Traditional Name: 2-amoxypropionic acid [2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl] ester Formula: C30H38N2O3 MolecularWeight: 474.63432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)C(C)OCCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)C(C)OCCCCC

InChI

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