pyrazin-2-yl 4-heptyl-3-(4-propylphenyl)benzoate

Systemtic Name: pyrazin-2-yl 4-heptyl-3-(4-propylphenyl)benzoate Openeye Name: pyrazin-2-yl 4-heptyl-3-(4-propylphenyl)benzoate CAS Name: 4-heptyl-3-(4-propylphenyl)benzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 4-heptyl-3-(4-propylphenyl)benzoate Traditional Name: 4-heptyl-3-(4-propylphenyl)benzoic acid pyrazin-2-yl ester Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)CCC

InChI

InChI=1S/C27H32N2O2/c1-3-5-6-7-8-10-22-15-16-24(27(30)31-26-20-28-17-18-29-26)19-25(22)23-13-11-21(9-4-2)12-14-23/h11-20H,3-10H2,1-2H3