methyl 2,2-dimethyl-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propanoate

Systemtic Name: methyl 2,2-dimethyl-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propanoate Openeye Name: methyl 3-(4-benzylpiperazin-1-yl)-2,2-dimethyl-3-oxo-propanoate CAS Name: 2,2-dimethyl-3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(4-benzylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanoate Traditional Name: 3-(4-benzylpiperazino)-3-keto-2,2-dimethyl-propionic acid methyl ester Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCN(CC1)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C(=O)N1CCN(CC1)CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H24N2O3/c1-17(2,16(21)22-3)15(20)19-11-9-18(10-12-19)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3