pyrazin-2-yl 5-(4-butylphenyl)-2-fluoranyl-4-propyl-benzoate

Systemtic Name: pyrazin-2-yl 5-(4-butylphenyl)-2-fluoranyl-4-propyl-benzoate Openeye Name: pyrazin-2-yl 5-(4-butylphenyl)-2-fluoro-4-propyl-benzoate CAS Name: 5-(4-butylphenyl)-2-fluoro-4-propylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 5-(4-butylphenyl)-2-fluoro-4-propylbenzoate Traditional Name: 5-(4-butylphenyl)-2-fluoro-4-propyl-benzoic acid pyrazin-2-yl ester Formula: C24H25FN2O2 MolecularWeight: 392.465903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC(=C(C=C2CCC)F)C(=O)OC3=NC=CN=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC(=C(C=C2CCC)F)C(=O)OC3=NC=CN=C3

InChI

InChI=1S/C24H25FN2O2/c1-3-5-7-17-8-10-18(11-9-17)20-15-21(22(25)14-19(20)6-4-2)24(28)29-23-16-26-12-13-27-23/h8-16H,3-7H2,1-2H3