4-(4-chloranyl-3-methoxy-phenyl)-2-(2-oxidanylidenepropyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(4-chloranyl-3-methoxy-phenyl)-2-(2-oxidanylidenepropyl)piperazine-1-carboxylic acid Openeye Name: 2-acetonyl-4-(4-chloro-3-methoxy-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(4-chloro-3-methoxyphenyl)-2-(2-oxopropyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(4-chloro-3-methoxyphenyl)-2-(2-oxopropyl)piperazine-1-carboxylic acid Traditional Name: 2-acetonyl-4-(4-chloro-3-methoxy-phenyl)piperazine-1-carboxylic acid Formula: C15H19ClN2O4 MolecularWeight: 326.77536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1CN(CCN1C(=O)O)C2=CC(=C(C=C2)Cl)OC

Isomeric SMILES

CC(=O)CC1CN(CCN1C(=O)O)C2=CC(=C(C=C2)Cl)OC

InChI

InChI=1S/C15H19ClN2O4/c1-10(19)7-12-9-17(5-6-18(12)15(20)21)11-3-4-13(16)14(8-11)22-2/h3-4,8,12H,5-7,9H2,1-2H3,(H,20,21)