(phenylmethyl) 4-[[(3-isocyanopyridin-2-yl)amino]methyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[(3-isocyanopyridin-2-yl)amino]methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[(3-isocyano-2-pyridyl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[(3-isocyano-2-pyridinyl)amino]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(3-isocyanopyridin-2-yl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(3-isocyano-2-pyridyl)amino]methyl]piperidine-1-carboxylic acid benzyl ester Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C(N=CC=C1)NCC2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

[C-]#[N+]C1=C(N=CC=C1)NCC2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2/c1-21-18-8-5-11-22-19(18)23-14-16-9-12-24(13-10-16)20(25)26-15-17-6-3-2-4-7-17/h2-8,11,16H,9-10,12-15H2,(H,22,23)