6-methanoyloxyhexyl 4-[8-cyano-7-(2-methylphenyl)-4-oxidanylidene-1H-pyrrolo[1,2-a]pyrimidin-2-yl]butanoate

Systemtic Name: 6-methanoyloxyhexyl 4-[8-cyano-7-(2-methylphenyl)-4-oxidanylidene-1H-pyrrolo[1,2-a]pyrimidin-2-yl]butanoate Openeye Name: 6-formyloxyhexyl 4-[8-cyano-7-(o-tolyl)-4-oxo-1H-pyrrolo[1,2-a]pyrimidin-2-yl]butanoate CAS Name: 4-[8-cyano-7-(2-methylphenyl)-4-oxo-1H-pyrrolo[1,2-a]pyrimidin-2-yl]butanoic acid 6-formyloxyhexyl ester IUPAC Name: 6-formyloxyhexyl 4-[8-cyano-7-(2-methylphenyl)-4-oxo-1H-pyrrolo[1,2-a]pyrimidin-2-yl]butanoate Traditional Name: 4-[8-cyano-4-keto-7-(o-tolyl)-1H-pyrrolo[1,2-a]pyrimidin-2-yl]butyric acid 6-formyloxyhexyl ester Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN3C(=O)C=C(NC3=C2C#N)CCCC(=O)OCCCCCCOC=O

Isomeric SMILES

CC1=CC=CC=C1C2=CN3C(=O)C=C(NC3=C2C#N)CCCC(=O)OCCCCCCOC=O

InChI

InChI=1S/C26H29N3O5/c1-19-9-4-5-11-21(19)23-17-29-24(31)15-20(28-26(29)22(23)16-27)10-8-12-25(32)34-14-7-3-2-6-13-33-18-30/h4-5,9,11,15,17-18,28H,2-3,6-8,10,12-14H2,1H3