pyrazin-2-yl 3-(4-cyanophenyl)-4-nonyl-benzoate

Systemtic Name: pyrazin-2-yl 3-(4-cyanophenyl)-4-nonyl-benzoate Openeye Name: pyrazin-2-yl 3-(4-cyanophenyl)-4-nonyl-benzoate CAS Name: 3-(4-cyanophenyl)-4-nonylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-cyanophenyl)-4-nonylbenzoate Traditional Name: 3-(4-cyanophenyl)-4-nonyl-benzoic acid pyrazin-2-yl ester Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H29N3O2/c1-2-3-4-5-6-7-8-9-22-14-15-24(27(31)32-26-20-29-16-17-30-26)18-25(22)23-12-10-21(19-28)11-13-23/h10-18,20H,2-9H2,1H3