2-[[5-methyl-2,6-bis(oxidanylidene)-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]benzoic acid

Systemtic Name: 2-[[5-methyl-2,6-bis(oxidanylidene)-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]benzoic acid Openeye Name: 2-[(5-methyl-2,6-dioxo-3-tetrahydrofuran-2-yl-pyrimidin-1-yl)methyl]benzoic acid CAS Name: 2-[[5-methyl-2,6-dioxo-3-(2-oxolanyl)-1-pyrimidinyl]methyl]benzoic acid IUPAC Name: 2-[[5-methyl-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]benzoic acid Traditional Name: 2-[[2,6-diketo-5-methyl-3-(tetrahydrofuryl)pyrimidin-1-yl]methyl]benzoic acid Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N(C1=O)CC2=CC=CC=C2C(=O)O)C3CCCO3

Isomeric SMILES

CC1=CN(C(=O)N(C1=O)CC2=CC=CC=C2C(=O)O)C3CCCO3

InChI

InChI=1S/C17H18N2O5/c1-11-9-18(14-7-4-8-24-14)17(23)19(15(11)20)10-12-5-2-3-6-13(12)16(21)22/h2-3,5-6,9,14H,4,7-8,10H2,1H3,(H,21,22)