(phenylmethyl) 4-[3-(2-azanylidene-1-oxidanyl-3-piperidin-3-ylcarbonyl-pyridin-4-yl)propyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-(2-azanylidene-1-oxidanyl-3-piperidin-3-ylcarbonyl-pyridin-4-yl)propyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[3-[1-hydroxy-2-imino-3-(piperidine-3-carbonyl)-4-pyridyl]propyl]piperidine-1-carboxylate CAS Name: 4-[3-[1-hydroxy-2-imino-3-[oxo(3-piperidinyl)methyl]-4-pyridinyl]propyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-[1-hydroxy-2-imino-3-(piperidine-3-carbonyl)pyridin-4-yl]propyl]piperidine-1-carboxylate Traditional Name: 4-[3-(1-hydroxy-2-imino-3-nipecotoyl-4-pyridyl)propyl]piperidine-1-carboxylic acid benzyl ester Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C(=O)C2=C(C=CN(C2=N)O)CCCC3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(CNC1)C(=O)C2=C(C=CN(C2=N)O)CCCC3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H36N4O4/c28-26-24(25(32)23-10-5-14-29-18-23)22(13-17-31(26)34)9-4-8-20-11-15-30(16-12-20)27(33)35-19-21-6-2-1-3-7-21/h1-3,6-7,13,17,20,23,28-29,34H,4-5,8-12,14-16,18-19H2