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

Systemtic Name: 5-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[4-[1-(3,4-dimethylphenyl)ethyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 5-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid Traditional Name: 5-[4-[1-(3,4-dimethylphenyl)ethyl]piperazino]-5-keto-valeric acid Formula: C19H28N2O3 MolecularWeight: 332.43722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O3/c1-14-7-8-17(13-15(14)2)16(3)20-9-11-21(12-10-20)18(22)5-4-6-19(23)24/h7-8,13,16H,4-6,9-12H2,1-3H3,(H,23,24)