pyrimidin-2-yl 3-(4-heptylphenyl)-4-hexoxy-benzoate

Systemtic Name: pyrimidin-2-yl 3-(4-heptylphenyl)-4-hexoxy-benzoate Openeye Name: pyrimidin-2-yl 3-(4-heptylphenyl)-4-hexoxy-benzoate CAS Name: 3-(4-heptylphenyl)-4-hexoxybenzoic acid 2-pyrimidinyl ester IUPAC Name: pyrimidin-2-yl 3-(4-heptylphenyl)-4-hexoxybenzoate Traditional Name: 3-(4-heptylphenyl)-4-hexoxy-benzoic acid 2-pyrimidyl ester Formula: C30H38N2O3 MolecularWeight: 474.63432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CC=N3)OCCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CC=N3)OCCCCCC

InChI

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