2-(hydroxymethyl)-3-[4-methyl-2-(phenylmethyl)piperazin-1-yl]-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(hydroxymethyl)-3-[4-methyl-2-(phenylmethyl)piperazin-1-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-(2-benzyl-4-methyl-piperazin-1-yl)-2-(hydroxymethyl)-3-oxo-propanoic acid CAS Name: 2-(hydroxymethyl)-3-[4-methyl-2-(phenylmethyl)-1-piperazinyl]-3-oxopropanoic acid IUPAC Name: 3-(2-benzyl-4-methylpiperazin-1-yl)-2-(hydroxymethyl)-3-oxopropanoic acid Traditional Name: 3-(2-benzyl-4-methyl-piperazino)-3-keto-2-methylol-propionic acid Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)CC2=CC=CC=C2)C(=O)C(CO)C(=O)O

Isomeric SMILES

CN1CCN(C(C1)CC2=CC=CC=C2)C(=O)C(CO)C(=O)O

InChI

InChI=1S/C16H22N2O4/c1-17-7-8-18(15(20)14(11-19)16(21)22)13(10-17)9-12-5-3-2-4-6-12/h2-6,13-14,19H,7-11H2,1H3,(H,21,22)