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

Systemtic Name: 3-methylbutyl 3-[2-methyl-4-oxidanylidene-6-[(E)-2-(2-oxidanylnaphthalen-1-yl)ethenyl]-1H-pyrimidin-5-yl]propanoate Openeye Name: isopentyl 3-[6-[(E)-2-(2-hydroxy-1-naphthyl)vinyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[6-[(E)-2-(2-hydroxy-1-naphthalenyl)ethenyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-[6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-[6-[(E)-2-(2-hydroxy-1-naphthyl)vinyl]-4-keto-2-methyl-1H-pyrimidin-5-yl]propionic acid isoamyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)C=CC2=C(C=CC3=CC=CC=C32)O)CCC(=O)OCCC(C)C

Isomeric SMILES

CC1=NC(=O)C(=C(N1)/C=C/C2=C(C=CC3=CC=CC=C32)O)CCC(=O)OCCC(C)C

InChI

InChI=1S/C25H28N2O4/c1-16(2)14-15-31-24(29)13-10-21-22(26-17(3)27-25(21)30)11-9-20-19-7-5-4-6-18(19)8-12-23(20)28/h4-9,11-12,16,28H,10,13-15H2,1-3H3,(H,26,27,30)/b11-9+