pyrazin-2-yl 3-(4-pentylphenyl)-4-propoxy-benzoate

Systemtic Name: pyrazin-2-yl 3-(4-pentylphenyl)-4-propoxy-benzoate Openeye Name: pyrazin-2-yl 3-(4-pentylphenyl)-4-propoxy-benzoate CAS Name: 3-(4-pentylphenyl)-4-propoxybenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-pentylphenyl)-4-propoxybenzoate Traditional Name: 3-(4-amylphenyl)-4-propoxy-benzoic acid pyrazin-2-yl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CN=C3)OCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CN=C3)OCCC

InChI

InChI=1S/C25H28N2O3/c1-3-5-6-7-19-8-10-20(11-9-19)22-17-21(12-13-23(22)29-16-4-2)25(28)30-24-18-26-14-15-27-24/h8-15,17-18H,3-7,16H2,1-2H3