pyrazin-2-yl 3-(4-ethylphenyl)-4-pentyl-benzoate

Systemtic Name: pyrazin-2-yl 3-(4-ethylphenyl)-4-pentyl-benzoate Openeye Name: pyrazin-2-yl 3-(4-ethylphenyl)-4-pentyl-benzoate CAS Name: 3-(4-ethylphenyl)-4-pentylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-ethylphenyl)-4-pentylbenzoate Traditional Name: 4-amyl-3-(4-ethylphenyl)benzoic acid pyrazin-2-yl ester Formula: C24H26N2O2 MolecularWeight: 374.47544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)CC

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)CC

InChI

InChI=1S/C24H26N2O2/c1-3-5-6-7-19-12-13-21(24(27)28-23-17-25-14-15-26-23)16-22(19)20-10-8-18(4-2)9-11-20/h8-17H,3-7H2,1-2H3