3,3-dimethyl-5-oxidanylidene-5-(4-phenylpiperazin-1-yl)pentanoic acid

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-(4-phenylpiperazin-1-yl)pentanoic acid Openeye Name: 3,3-dimethyl-5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid CAS Name: 3,3-dimethyl-5-oxo-5-(4-phenyl-1-piperazinyl)pentanoic acid IUPAC Name: 3,3-dimethyl-5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-(4-phenylpiperazino)valeric acid Formula: C17H24N2O3 MolecularWeight: 304.38406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCN(CC1)C2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)N1CCN(CC1)C2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C17H24N2O3/c1-17(2,13-16(21)22)12-15(20)19-10-8-18(9-11-19)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,21,22)