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

Systemtic Name: 2-[[1-[(2-chlorophenyl)methyl]-2-cyclohexyl-6-oxidanyl-4-oxidanylidene-pyrimidin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-[(2-chlorophenyl)methyl]-2-cyclohexyl-6-hydroxy-4-oxo-pyrimidine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[1-[(2-chlorophenyl)methyl]-2-cyclohexyl-6-hydroxy-4-oxo-5-pyrimidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-[(2-chlorophenyl)methyl]-2-cyclohexyl-6-hydroxy-4-oxopyrimidine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(2-chlorobenzyl)-2-cyclohexyl-6-hydroxy-4-keto-pyrimidine-5-carbonyl]amino]acetic acid Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=O)C(=C(N2CC3=CC=CC=C3Cl)O)C(=O)NCC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NC(=O)C(=C(N2CC3=CC=CC=C3Cl)O)C(=O)NCC(=O)O

InChI

InChI=1S/C20H22ClN3O5/c21-14-9-5-4-8-13(14)11-24-17(12-6-2-1-3-7-12)23-19(28)16(20(24)29)18(27)22-10-15(25)26/h4-5,8-9,12,29H,1-3,6-7,10-11H2,(H,22,27)(H,25,26)