4-[2-oxidanylidene-4-(1-phenylpiperidin-2-yl)carbonyl-piperazin-1-yl]butanoic acid

Systemtic Name: 4-[2-oxidanylidene-4-(1-phenylpiperidin-2-yl)carbonyl-piperazin-1-yl]butanoic acid Openeye Name: 4-[2-oxo-4-(1-phenylpiperidine-2-carbonyl)piperazin-1-yl]butanoic acid CAS Name: 4-[2-oxo-4-[oxo-(1-phenyl-2-piperidinyl)methyl]-1-piperazinyl]butanoic acid IUPAC Name: 4-[2-oxo-4-(1-phenylpiperidine-2-carbonyl)piperazin-1-yl]butanoic acid Traditional Name: 4-[2-keto-4-(1-phenylpipecoloyl)piperazino]butyric acid Formula: C20H27N3O4 MolecularWeight: 373.44608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N2CCN(C(=O)C2)CCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)N2CCN(C(=O)C2)CCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H27N3O4/c24-18-15-22(14-13-21(18)11-6-10-19(25)26)20(27)17-9-4-5-12-23(17)16-7-2-1-3-8-16/h1-3,7-8,17H,4-6,9-15H2,(H,25,26)