2-[5-(3-ethoxy-3-oxidanylidene-propyl)-4-oxidanylidene-2-phenyl-1H-pyrimidin-6-yl]benzoic acid

Systemtic Name: 2-[5-(3-ethoxy-3-oxidanylidene-propyl)-4-oxidanylidene-2-phenyl-1H-pyrimidin-6-yl]benzoic acid Openeye Name: 2-[5-(3-ethoxy-3-oxo-propyl)-4-oxo-2-phenyl-1H-pyrimidin-6-yl]benzoic acid CAS Name: 2-[5-(3-ethoxy-3-oxopropyl)-4-oxo-2-phenyl-1H-pyrimidin-6-yl]benzoic acid IUPAC Name: 2-[5-(3-ethoxy-3-oxopropyl)-4-oxo-2-phenyl-1H-pyrimidin-6-yl]benzoic acid Traditional Name: 2-[5-(3-ethoxy-3-keto-propyl)-4-keto-2-phenyl-1H-pyrimidin-6-yl]benzoic acid Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(NC(=NC1=O)C2=CC=CC=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCOC(=O)CCC1=C(NC(=NC1=O)C2=CC=CC=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H20N2O5/c1-2-29-18(25)13-12-17-19(15-10-6-7-11-16(15)22(27)28)23-20(24-21(17)26)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,27,28)(H,23,24,26)