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

Systemtic Name: 2-butoxypropyl 2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carboxylate Openeye Name: 2-butoxypropyl 2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carboxylate CAS Name: 2-[4-(4-hexylphenyl)phenyl]-5-pyrimidinecarboxylic acid 2-butoxypropyl ester IUPAC Name: 2-butoxypropyl 2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carboxylate Traditional Name: 2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carboxylic acid 2-butoxypropyl 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)C(=O)OCC(C)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2O3/c1-4-6-8-9-10-24-11-13-25(14-12-24)26-15-17-27(18-16-26)29-31-20-28(21-32-29)30(33)35-22-23(3)34-19-7-5-2/h11-18,20-21,23H,4-10,19,22H2,1-3H3