5-[4-(2-cyanophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-(2-cyanophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(2-cyanophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[4-(2-cyanophenyl)-1-piperazinyl]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[4-(2-cyanophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[4-(2-cyanophenyl)piperazino]-5-keto-3,3-dimethyl-valeric acid Formula: C18H23N3O3 MolecularWeight: 329.39352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCN(CC1)C2=CC=CC=C2C#N)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)N1CCN(CC1)C2=CC=CC=C2C#N)CC(=O)O

InChI

InChI=1S/C18H23N3O3/c1-18(2,12-17(23)24)11-16(22)21-9-7-20(8-10-21)15-6-4-3-5-14(15)13-19/h3-6H,7-12H2,1-2H3,(H,23,24)