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

Systemtic Name: 3-methylbutyl 3-[6-methyl-4-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoate Openeye Name: isopentyl 3-(2-benzyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoate CAS Name: 3-[6-methyl-4-oxo-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-(2-benzyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoate Traditional Name: 3-(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)CCC(=O)OCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3/c1-14(2)11-12-25-19(23)10-9-17-15(3)21-18(22-20(17)24)13-16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3,(H,21,22,24)