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

Systemtic Name: 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: 5-[4-(2,3-dimethylphenyl)piperazino]-5-keto-valeric acid Formula: C17H24N2O3 MolecularWeight: 304.38406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCCC(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCCC(=O)O)C

InChI

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