3-methylbutyl 2-[6-methyl-4-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoate

Systemtic Name: 3-methylbutyl 2-[6-methyl-4-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoate Openeye Name: isopentyl 2-(2-benzyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoate CAS Name: 2-[6-methyl-4-oxo-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-(2-benzyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoate Traditional Name: 2-(2-benzyl-4-keto-6-methyl-1H-pyrimidin-5-yl)propionic acid isoamyl ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)CC2=CC=CC=C2)C(C)C(=O)OCCC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)CC2=CC=CC=C2)C(C)C(=O)OCCC(C)C

InChI

InChI=1S/C20H26N2O3/c1-13(2)10-11-25-20(24)14(3)18-15(4)21-17(22-19(18)23)12-16-8-6-5-7-9-16/h5-9,13-14H,10-12H2,1-4H3,(H,21,22,23)