8-[4-[[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]phenyl]octanoic acid

Systemtic Name: 8-[4-[[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]phenyl]octanoic acid Openeye Name: 8-[4-[(5-methyl-2,4-dioxo-pyrimidin-1-yl)methyl]phenyl]octanoic acid CAS Name: 8-[4-[(5-methyl-2,4-dioxo-1-pyrimidinyl)methyl]phenyl]octanoic acid IUPAC Name: 8-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]phenyl]octanoic acid Traditional Name: 8-[4-[(2,4-diketo-5-methyl-pyrimidin-1-yl)methyl]phenyl]caprylic acid Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)CC2=CC=C(C=C2)CCCCCCCC(=O)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)CC2=CC=C(C=C2)CCCCCCCC(=O)O

InChI

InChI=1S/C20H26N2O4/c1-15-13-22(20(26)21-19(15)25)14-17-11-9-16(10-12-17)7-5-3-2-4-6-8-18(23)24/h9-13H,2-8,14H2,1H3,(H,23,24)(H,21,25,26)