2-[2-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[2-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[2-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-(4-keto-6-methyl-2-veratryl-1H-pyrimidin-5-yl)acetic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)CC2=CC(=C(C=C2)OC)OC)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)CC2=CC(=C(C=C2)OC)OC)CC(=O)O

InChI

InChI=1S/C16H18N2O5/c1-9-11(8-15(19)20)16(21)18-14(17-9)7-10-4-5-12(22-2)13(6-10)23-3/h4-6H,7-8H2,1-3H3,(H,19,20)(H,17,18,21)