2-pentoxypropyl 2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carboxylate

Systemtic Name: 2-pentoxypropyl 2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carboxylate Openeye Name: 2-pentoxypropyl 2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carboxylate CAS Name: 2-[4-(4-hexylphenyl)phenyl]-5-pyrimidinecarboxylic acid 2-pentoxypropyl ester IUPAC Name: 2-pentoxypropyl 2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carboxylate Traditional Name: 2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carboxylic acid 2-amoxypropyl ester Formula: C31H40N2O3 MolecularWeight: 488.6609

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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)C(=O)OCC(C)OCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C31H40N2O3/c1-4-6-8-9-11-25-12-14-26(15-13-25)27-16-18-28(19-17-27)30-32-21-29(22-33-30)31(34)36-23-24(3)35-20-10-7-5-2/h12-19,21-22,24H,4-11,20,23H2,1-3H3