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

Systemtic Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxo-propanoic acid CAS Name: 3-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-oxopropanoic acid IUPAC Name: 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropanoic acid Traditional Name: 3-[4-(2,5-dimethylphenyl)piperazino]-3-keto-propionic acid Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3/c1-11-3-4-12(2)13(9-11)16-5-7-17(8-6-16)14(18)10-15(19)20/h3-4,9H,5-8,10H2,1-2H3,(H,19,20)