2-[[2-cyclohexyl-1-[(3,4-dichlorophenyl)methyl]-6-oxidanyl-4-oxidanylidene-pyrimidin-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-cyclohexyl-1-[(3,4-dichlorophenyl)methyl]-6-oxidanyl-4-oxidanylidene-pyrimidin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[2-cyclohexyl-1-[(3,4-dichlorophenyl)methyl]-6-hydroxy-4-oxo-pyrimidine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[2-cyclohexyl-1-[(3,4-dichlorophenyl)methyl]-6-hydroxy-4-oxo-5-pyrimidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[2-cyclohexyl-1-[(3,4-dichlorophenyl)methyl]-6-hydroxy-4-oxopyrimidine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[2-cyclohexyl-1-(3,4-dichlorobenzyl)-6-hydroxy-4-keto-pyrimidine-5-carbonyl]amino]acetic acid Formula: C20H21Cl2N3O5 MolecularWeight: 454.30384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=O)C(=C(N2CC3=CC(=C(C=C3)Cl)Cl)O)C(=O)NCC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NC(=O)C(=C(N2CC3=CC(=C(C=C3)Cl)Cl)O)C(=O)NCC(=O)O

InChI

InChI=1S/C20H21Cl2N3O5/c21-13-7-6-11(8-14(13)22)10-25-17(12-4-2-1-3-5-12)24-19(29)16(20(25)30)18(28)23-9-15(26)27/h6-8,12,30H,1-5,9-10H2,(H,23,28)(H,26,27)