7-[2-(4-cyanophenyl)pyrimidin-5-yl]heptyl oxirane-2-carboxylate

Systemtic Name: 7-[2-(4-cyanophenyl)pyrimidin-5-yl]heptyl oxirane-2-carboxylate Openeye Name: 7-[2-(4-cyanophenyl)pyrimidin-5-yl]heptyl oxirane-2-carboxylate CAS Name: 2-oxiranecarboxylic acid 7-[2-(4-cyanophenyl)-5-pyrimidinyl]heptyl ester IUPAC Name: 7-[2-(4-cyanophenyl)pyrimidin-5-yl]heptyl oxirane-2-carboxylate Traditional Name: oxirane-2-carboxylic acid 7-[2-(4-cyanophenyl)pyrimidin-5-yl]heptyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)C(=O)OCCCCCCCC2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1C(O1)C(=O)OCCCCCCCC2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3O3/c22-12-16-7-9-18(10-8-16)20-23-13-17(14-24-20)6-4-2-1-3-5-11-26-21(25)19-15-27-19/h7-10,13-14,19H,1-6,11,15H2