2-methyl-3-oxidanylidene-3-(3-piperazin-1-ylphenyl)propanoic acid

Systemtic Name: 2-methyl-3-oxidanylidene-3-(3-piperazin-1-ylphenyl)propanoic acid Openeye Name: 2-methyl-3-oxo-3-(3-piperazin-1-ylphenyl)propanoic acid CAS Name: 2-methyl-3-oxo-3-[3-(1-piperazinyl)phenyl]propanoic acid IUPAC Name: 2-methyl-3-oxo-3-(3-piperazin-1-ylphenyl)propanoic acid Traditional Name: 3-keto-2-methyl-3-(3-piperazinophenyl)propionic acid Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=CC=C1)N2CCNCC2)C(=O)O

Isomeric SMILES

CC(C(=O)C1=CC(=CC=C1)N2CCNCC2)C(=O)O

InChI

InChI=1S/C14H18N2O3/c1-10(14(18)19)13(17)11-3-2-4-12(9-11)16-7-5-15-6-8-16/h2-4,9-10,15H,5-8H2,1H3,(H,18,19)