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

Systemtic Name: 7-[2-(4-methylphenyl)pyrimidin-5-yl]heptyl oxirane-2-carboxylate Openeye Name: 7-[2-(p-tolyl)pyrimidin-5-yl]heptyl oxirane-2-carboxylate CAS Name: 2-oxiranecarboxylic acid 7-[2-(4-methylphenyl)-5-pyrimidinyl]heptyl ester IUPAC Name: 7-[2-(4-methylphenyl)pyrimidin-5-yl]heptyl oxirane-2-carboxylate Traditional Name: oxirane-2-carboxylic acid 7-[2-(p-tolyl)pyrimidin-5-yl]heptyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCCCOC(=O)C3CO3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCCCOC(=O)C3CO3

InChI

InChI=1S/C21H26N2O3/c1-16-8-10-18(11-9-16)20-22-13-17(14-23-20)7-5-3-2-4-6-12-25-21(24)19-15-26-19/h8-11,13-14,19H,2-7,12,15H2,1H3