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

Systemtic Name: 3-methylbutyl 3-[2-methyl-4-oxidanylidene-6-[(E)-2-phenylethenyl]-1H-pyrimidin-5-yl]propanoate Openeye Name: isopentyl 3-[2-methyl-4-oxo-6-[(E)-styryl]-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[2-methyl-4-oxo-6-[(E)-2-phenylethenyl]-1H-pyrimidin-5-yl]propanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-[2-methyl-4-oxo-6-[(E)-2-phenylethenyl]-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-[4-keto-2-methyl-6-[(E)-styryl]-1H-pyrimidin-5-yl]propionic acid isoamyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-15(2)13-14-26-20(24)12-10-18-19(22-16(3)23-21(18)25)11-9-17-7-5-4-6-8-17/h4-9,11,15H,10,12-14H2,1-3H3,(H,22,23,25)/b11-9+