[4-(3-cyano-5-methyl-phenyl)carbonyl-3-ethyl-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-1-yl]methyl 3-azanylbutanoate

Systemtic Name: [4-(3-cyano-5-methyl-phenyl)carbonyl-3-ethyl-2,6-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-1-yl]methyl 3-azanylbutanoate Openeye Name: [4-(3-cyano-5-methyl-benzoyl)-3-ethyl-5-isopropyl-2,6-dioxo-pyrimidin-1-yl]methyl 3-aminobutanoate CAS Name: 3-aminobutanoic acid [4-[(3-cyano-5-methylphenyl)-oxomethyl]-3-ethyl-2,6-dioxo-5-propan-2-yl-1-pyrimidinyl]methyl ester IUPAC Name: [4-(3-cyano-5-methylbenzoyl)-3-ethyl-2,6-dioxo-5-propan-2-ylpyrimidin-1-yl]methyl 3-aminobutanoate Traditional Name: 3-aminobutyric acid [4-(3-cyano-5-methyl-benzoyl)-3-ethyl-5-isopropyl-2,6-diketo-pyrimidin-1-yl]methyl ester Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N(C1=O)COC(=O)CC(C)N)C(C)C)C(=O)C2=CC(=CC(=C2)C#N)C

Isomeric SMILES

CCN1C(=C(C(=O)N(C1=O)COC(=O)CC(C)N)C(C)C)C(=O)C2=CC(=CC(=C2)C#N)C

InChI

InChI=1S/C23H28N4O5/c1-6-26-20(21(29)17-8-14(4)7-16(10-17)11-24)19(13(2)3)22(30)27(23(26)31)12-32-18(28)9-15(5)25/h7-8,10,13,15H,6,9,12,25H2,1-5H3