pyrazin-2-yl 3-(4-butylphenyl)-4-propyl-benzoate

Systemtic Name: pyrazin-2-yl 3-(4-butylphenyl)-4-propyl-benzoate Openeye Name: pyrazin-2-yl 3-(4-butylphenyl)-4-propyl-benzoate CAS Name: 3-(4-butylphenyl)-4-propylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-butylphenyl)-4-propylbenzoate Traditional Name: 3-(4-butylphenyl)-4-propyl-benzoic acid pyrazin-2-yl ester Formula: C24H26N2O2 MolecularWeight: 374.47544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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