(phenylmethyl) (2S)-2-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]carbonylamino]hexanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]carbonylamino]hexanoate Openeye Name: benzyl (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]hexanoate CAS Name: (2S)-2-[[[(2R,6S)-2,6-dimethyl-1-piperidinyl]-oxomethyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]hexanoate Traditional Name: (2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]hexanoic acid benzyl ester Formula: C21H32N2O3 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC1=CC=CC=C1)NC(=O)N2C(CCCC2C)C

Isomeric SMILES

CCCC[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)N2[C@@H](CCC[C@@H]2C)C

InChI

InChI=1S/C21H32N2O3/c1-4-5-14-19(20(24)26-15-18-12-7-6-8-13-18)22-21(25)23-16(2)10-9-11-17(23)3/h6-8,12-13,16-17,19H,4-5,9-11,14-15H2,1-3H3,(H,22,25)/t16-,17+,19-/m0/s1