(phenylmethyl) 4-[[(2S)-4-azanyl-1-oxidanylidene-1-piperidin-1-yl-butan-2-yl]amino]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[(2S)-4-azanyl-1-oxidanylidene-1-piperidin-1-yl-butan-2-yl]amino]piperidine-1-carboxylate Openeye Name: benzyl 4-[[(1S)-3-amino-1-(piperidine-1-carbonyl)propyl]amino]piperidine-1-carboxylate CAS Name: 4-[[(2S)-4-amino-1-oxo-1-(1-piperidinyl)butan-2-yl]amino]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(2S)-4-amino-1-oxo-1-piperidin-1-ylbutan-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[(1S)-3-amino-1-(piperidine-1-carbonyl)propyl]amino]piperidine-1-carboxylic acid benzyl ester Formula: C22H34N4O3 MolecularWeight: 402.53036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(CCN)NC2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H](CCN)NC2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H34N4O3/c23-12-9-20(21(27)25-13-5-2-6-14-25)24-19-10-15-26(16-11-19)22(28)29-17-18-7-3-1-4-8-18/h1,3-4,7-8,19-20,24H,2,5-6,9-17,23H2/t20-/m0/s1