pyrimidin-5-yl 2-(4-nonylphenyl)-4-octyl-benzoate

Systemtic Name: pyrimidin-5-yl 2-(4-nonylphenyl)-4-octyl-benzoate Openeye Name: pyrimidin-5-yl 2-(4-nonylphenyl)-4-octyl-benzoate CAS Name: 2-(4-nonylphenyl)-4-octylbenzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 2-(4-nonylphenyl)-4-octylbenzoate Traditional Name: 2-(4-nonylphenyl)-4-octyl-benzoic acid 5-pyrimidyl ester Formula: C34H46N2O2 MolecularWeight: 514.74124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCCCCCCC)C(=O)OC3=CN=CN=C3

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCCCCCCC)C(=O)OC3=CN=CN=C3

InChI

InChI=1S/C34H46N2O2/c1-3-5-7-9-11-13-14-16-28-18-21-30(22-19-28)33-24-29(17-15-12-10-8-6-4-2)20-23-32(33)34(37)38-31-25-35-27-36-26-31/h18-27H,3-17H2,1-2H3