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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3/c1-13-6-7-14(2)15(12-13)18-8-10-19(11-9-18)16(20)4-3-5-17(21)22/h6-7,12H,3-5,8-11H2,1-2H3,(H,21,22)