2-[[2-(2-chlorophenyl)-6-oxidanyl-4-oxidanylidene-1-(phenylmethyl)pyrimidin-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-(2-chlorophenyl)-6-oxidanyl-4-oxidanylidene-1-(phenylmethyl)pyrimidin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-benzyl-2-(2-chlorophenyl)-6-hydroxy-4-oxo-pyrimidine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[2-(2-chlorophenyl)-6-hydroxy-4-oxo-1-(phenylmethyl)-5-pyrimidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-benzyl-2-(2-chlorophenyl)-6-hydroxy-4-oxopyrimidine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[1-benzyl-2-(2-chlorophenyl)-6-hydroxy-4-keto-pyrimidine-5-carbonyl]amino]acetic acid Formula: C20H16ClN3O5 MolecularWeight: 413.81114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C(=O)N=C2C3=CC=CC=C3Cl)C(=O)NCC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=O)N=C2C3=CC=CC=C3Cl)C(=O)NCC(=O)O)O

InChI

InChI=1S/C20H16ClN3O5/c21-14-9-5-4-8-13(14)17-23-19(28)16(18(27)22-10-15(25)26)20(29)24(17)11-12-6-2-1-3-7-12/h1-9,29H,10-11H2,(H,22,27)(H,25,26)