2-[2-[(4-butoxyphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-butoxyphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-[(4-butoxyphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[2-[(4-butoxyphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[2-[(4-butoxyphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[2-(4-butoxybenzyl)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetic acid Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC2=NC(=O)C(=C(N2)C)CC(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC2=NC(=O)C(=C(N2)C)CC(=O)O

InChI

InChI=1S/C18H22N2O4/c1-3-4-9-24-14-7-5-13(6-8-14)10-16-19-12(2)15(11-17(21)22)18(23)20-16/h5-8H,3-4,9-11H2,1-2H3,(H,21,22)(H,19,20,23)