3-oxidanylidene-2-[(2-oxidanylidenepiperazin-1-yl)methyl]-2-(4-piperidin-4-ylphenyl)butanoic acid

Systemtic Name: 3-oxidanylidene-2-[(2-oxidanylidenepiperazin-1-yl)methyl]-2-(4-piperidin-4-ylphenyl)butanoic acid Openeye Name: 3-oxo-2-[(2-oxopiperazin-1-yl)methyl]-2-[4-(4-piperidyl)phenyl]butanoic acid CAS Name: 3-oxo-2-[(2-oxo-1-piperazinyl)methyl]-2-[4-(4-piperidinyl)phenyl]butanoic acid IUPAC Name: 3-oxo-2-[(2-oxopiperazin-1-yl)methyl]-2-(4-piperidin-4-ylphenyl)butanoic acid Traditional Name: 3-keto-2-[(2-ketopiperazino)methyl]-2-[4-(4-piperidyl)phenyl]butyric acid Formula: C20H27N3O4 MolecularWeight: 373.44608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CN1CCNCC1=O)(C2=CC=C(C=C2)C3CCNCC3)C(=O)O

Isomeric SMILES

CC(=O)C(CN1CCNCC1=O)(C2=CC=C(C=C2)C3CCNCC3)C(=O)O

InChI

InChI=1S/C20H27N3O4/c1-14(24)20(19(26)27,13-23-11-10-22-12-18(23)25)17-4-2-15(3-5-17)16-6-8-21-9-7-16/h2-5,16,21-22H,6-13H2,1H3,(H,26,27)