ethyl 5-[2-acetamido-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]pentanoate

Systemtic Name: ethyl 5-[2-acetamido-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]pentanoate Openeye Name: ethyl 5-[2-acetamido-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]pentanoate CAS Name: 5-[2-acetamido-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-acetamido-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]pentanoate Traditional Name: 5-[2-acetamido-4-keto-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]valeric acid ethyl ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC1=C(C(=O)N=C(N1)NC(=O)C)CCCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCCC1=C(C(=O)N=C(N1)NC(=O)C)CCCCC2=CC=CC=C2

InChI

InChI=1S/C23H31N3O4/c1-3-30-21(28)16-10-9-15-20-19(22(29)26-23(25-20)24-17(2)27)14-8-7-13-18-11-5-4-6-12-18/h4-6,11-12H,3,7-10,13-16H2,1-2H3,(H2,24,25,26,27,29)