3-oxidanylidene-3-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propanoate

Systemtic Name: 3-oxidanylidene-3-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propanoate Openeye Name: 3-oxo-3-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propanoate CAS Name: 3-oxo-3-[4-(2,4,6-trimethylphenyl)-1-piperazinyl]propanoate IUPAC Name: 3-oxo-3-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propanoate Traditional Name: 3-keto-3-(4-mesitylpiperazino)propionate Formula: C16H21N2O3- MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2CCN(CC2)C(=O)CC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2CCN(CC2)C(=O)CC(=O)[O-])C

InChI

InChI=1S/C16H22N2O3/c1-11-8-12(2)16(13(3)9-11)18-6-4-17(5-7-18)14(19)10-15(20)21/h8-9H,4-7,10H2,1-3H3,(H,20,21)/p-1