4-[[1-[2-(hydroxymethyl)pyridin-4-yl]piperidin-4-yl]amino]-3-methoxycarbonyl-5-oxidanylidene-piperazine-1-carboxylic acid

Systemtic Name: 4-[[1-[2-(hydroxymethyl)pyridin-4-yl]piperidin-4-yl]amino]-3-methoxycarbonyl-5-oxidanylidene-piperazine-1-carboxylic acid Openeye Name: 4-[[1-[2-(hydroxymethyl)-4-pyridyl]-4-piperidyl]amino]-3-methoxycarbonyl-5-oxo-piperazine-1-carboxylic acid CAS Name: 4-[[1-[2-(hydroxymethyl)-4-pyridinyl]-4-piperidinyl]amino]-3-methoxycarbonyl-5-oxo-1-piperazinecarboxylic acid IUPAC Name: 4-[[1-[2-(hydroxymethyl)pyridin-4-yl]piperidin-4-yl]amino]-3-methoxycarbonyl-5-oxopiperazine-1-carboxylic acid Traditional Name: 3-carbomethoxy-5-keto-4-[[1-(2-methylol-4-pyridyl)-4-piperidyl]amino]piperazine-1-carboxylic acid Formula: C18H25N5O6 MolecularWeight: 407.421

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CC(=O)N1NC2CCN(CC2)C3=CC(=NC=C3)CO)C(=O)O

Isomeric SMILES

COC(=O)C1CN(CC(=O)N1NC2CCN(CC2)C3=CC(=NC=C3)CO)C(=O)O

InChI

InChI=1S/C18H25N5O6/c1-29-17(26)15-9-22(18(27)28)10-16(25)23(15)20-12-3-6-21(7-4-12)14-2-5-19-13(8-14)11-24/h2,5,8,12,15,20,24H,3-4,6-7,9-11H2,1H3,(H,27,28)