2-(3,4-dichlorophenyl)-2-ethanoyl-3-(hydroxymethyl)piperazine-1-carboxylic acid

Systemtic Name: 2-(3,4-dichlorophenyl)-2-ethanoyl-3-(hydroxymethyl)piperazine-1-carboxylic acid Openeye Name: 2-acetyl-2-(3,4-dichlorophenyl)-3-(hydroxymethyl)piperazine-1-carboxylic acid CAS Name: 2-acetyl-2-(3,4-dichlorophenyl)-3-(hydroxymethyl)-1-piperazinecarboxylic acid IUPAC Name: 2-acetyl-2-(3,4-dichlorophenyl)-3-(hydroxymethyl)piperazine-1-carboxylic acid Traditional Name: 2-acetyl-2-(3,4-dichlorophenyl)-3-methylol-piperazine-1-carboxylic acid Formula: C14H16Cl2N2O4 MolecularWeight: 347.19384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(NCCN1C(=O)O)CO)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC(=O)C1(C(NCCN1C(=O)O)CO)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H16Cl2N2O4/c1-8(20)14(9-2-3-10(15)11(16)6-9)12(7-19)17-4-5-18(14)13(21)22/h2-3,6,12,17,19H,4-5,7H2,1H3,(H,21,22)