2-azanyl-5-(2,4-dichlorophenyl)-5-oxidanyl-6-(1,2,4-triazol-1-yl)hexanoic acid

Systemtic Name: 2-azanyl-5-(2,4-dichlorophenyl)-5-oxidanyl-6-(1,2,4-triazol-1-yl)hexanoic acid Openeye Name: 2-amino-5-(2,4-dichlorophenyl)-5-hydroxy-6-(1,2,4-triazol-1-yl)hexanoic acid CAS Name: 2-amino-5-(2,4-dichlorophenyl)-5-hydroxy-6-(1,2,4-triazol-1-yl)hexanoic acid IUPAC Name: 2-amino-5-(2,4-dichlorophenyl)-5-hydroxy-6-(1,2,4-triazol-1-yl)hexanoic acid Traditional Name: 2-amino-5-(2,4-dichlorophenyl)-5-hydroxy-6-(1,2,4-triazol-1-yl)hexanoic acid Formula: C14H16Cl2N4O3 MolecularWeight: 359.20784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)C(CCC(C(=O)O)N)(CN2C=NC=N2)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)C(CCC(C(=O)O)N)(CN2C=NC=N2)O

InChI

InChI=1S/C14H16Cl2N4O3/c15-9-1-2-10(11(16)5-9)14(23,4-3-12(17)13(21)22)6-20-8-18-7-19-20/h1-2,5,7-8,12,23H,3-4,6,17H2,(H,21,22)